4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene

C15H26 — CID 86022436

IUPAC4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene
SMILESCC(C)CC=CC(C)C1=CCC(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
InChIKeyAOTOEKFIRGUTMJ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds4

About 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene

4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene (PubChem CID 86022436) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene.

Molecular Properties

Compound Name4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene
PubChem CID86022436
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene
SMILESCC(C)CC=CC(C)C1=CCC(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
InChIKeyAOTOEKFIRGUTMJ-UHFFFAOYSA-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 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene?
The IUPAC name of 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene (CID 86022436) is 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene.
What is the SMILES notation for 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene?
The canonical SMILES for 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene is CC(C)CC=CC(C)C1=CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene?
The InChIKey is AOTOEKFIRGUTMJ-UHFFFAOYSA-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.
What are the key properties of 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene?
4-methyl-1-(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 4-methyl-1-(6-methylhept-3-en-2-yl)cyclohexene is sourced from PubChem (CID 86022436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).