1-Methylcycloheptanol

1-Methylcycloheptanol
Compound Structure:
Synonyms: 1-Methylcycloheptanol;3761-94-2;1-Methylcycloheptan-1-ol;Cycloheptanol, 1-methyl-;1-Methylcycloheptanol-1
Compound ID: NMPC-098
PubChem ID:

77376
Molecular Formula: C8H16O
Canonical SMILES: CC1(CCCCCC1)O
InChIKey: XFFKAYOHINCUNU-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (11.63%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (11.63%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

128.21 g/mol

XLogP3

1.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

128.120115130 g/mol

Monoisotopic Mass

128.120115130 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

80.6

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Liquid

Source: PubChem
Source Species: Pteris togoensis
Download SDF