3,7(11)-Selinadiene

Compound Structure:

Synonyms:

3,7(11)-Eudesmadiene;3,7(11)-Selinadiene;seli-3,7(11)-diene;Selina-3,7(11)-diene;Eudesma-3,7(11)-diene;6813-21-4;Selina-3,7(11)-dien;seli-3,7 (11)-diene;CHEBI:166668

Compound ID:

NMPC-323

PubChem ID:

522296

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CCCC2(C1CC(=C(C)C)CC2)C

InChIKey:

WNRBYZQFEBIUGD-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	290.5 g/mol
XLogP3-AA	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	290.260965704 g/mol
Monoisotopic Mass	290.260965704 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	394
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Eugenia uniflora

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