(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene

C15H26 — CID 163068277

IUPAC(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene
SMILESCC(C)C/C=C/[C@H](C)C1=CC[C@@H](C)CC1
InChIInChI=1S/C15H26/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-14H,6,8-9,11H2,1-4H3/b7-5+/t13-,14+/m1/s1
InChIKeyAOTOEKFIRGUTMJ-UMGRQFOVSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds4

About (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene

(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene (PubChem CID 163068277) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene.

Molecular Properties

Compound Name(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene
PubChem CID163068277
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene
SMILESCC(C)C/C=C/[C@H](C)C1=CC[C@@H](C)CC1
InChIInChI=1S/C15H26/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-14H,6,8-9,11H2,1-4H3/b7-5+/t13-,14+/m1/s1
InChIKeyAOTOEKFIRGUTMJ-UMGRQFOVSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
beta-Cadinene
CID 10657
Beta-Bisabolene
CID 10104370
delta-Cadinene
CID 441005
Elemene
CID 12309449
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene?
The IUPAC name of (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene (CID 163068277) is (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene.
What is the SMILES notation for (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene?
The canonical SMILES for (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene is CC(C)C/C=C/[C@H](C)C1=CC[C@@H](C)CC1.
What is the InChIKey of (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene?
The InChIKey is AOTOEKFIRGUTMJ-UMGRQFOVSA-N. The full InChI is InChI=1S/C15H26/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-14H,6,8-9,11H2,1-4H3/b7-5+/t13-,14+/m1/s1.
What are the key properties of (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene?
(4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene has a molecular weight of 206.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-[(E,2S)-6-methylhept-3-en-2-yl]cyclohexene is sourced from PubChem (CID 163068277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).