(1E)-5-methylcyclooctene

C9H16 — CID 140764486

IUPAC(1E)-5-methylcyclooctene
SMILESCC1CC/C=C\CCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyNDEUHGLZVZJEGK-IHWYPQMZSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About (1E)-5-methylcyclooctene

(1E)-5-methylcyclooctene (PubChem CID 140764486) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1E)-5-methylcyclooctene.

Molecular Properties

Compound Name(1E)-5-methylcyclooctene
PubChem CID140764486
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1E)-5-methylcyclooctene
SMILESCC1CC/C=C\CCC1
InChIInChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-
InChIKeyNDEUHGLZVZJEGK-IHWYPQMZSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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
Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468
trans-Isolimonene
CID 22831540
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354

Frequently Asked Questions

What is the IUPAC name of (1E)-5-methylcyclooctene?
The IUPAC name of (1E)-5-methylcyclooctene (CID 140764486) is (1E)-5-methylcyclooctene.
What is the SMILES notation for (1E)-5-methylcyclooctene?
The canonical SMILES for (1E)-5-methylcyclooctene is CC1CC/C=C\CCC1.
What is the InChIKey of (1E)-5-methylcyclooctene?
The InChIKey is NDEUHGLZVZJEGK-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3/b3-2-.
What are the key properties of (1E)-5-methylcyclooctene?
(1E)-5-methylcyclooctene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-5-methylcyclooctene is sourced from PubChem (CID 140764486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).