3-methylcycloheptene

C8H14 — CID 524409

IUPAC3-methylcycloheptene
SMILESCC1C=CCCCC1
InChIInChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyDVNBPKQOLWHHTL-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 3-methylcycloheptene

3-methylcycloheptene (PubChem CID 524409) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylcycloheptene.

Molecular Properties

Compound Name3-methylcycloheptene
PubChem CID524409
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylcycloheptene
SMILESCC1C=CCCCC1
InChIInChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyDVNBPKQOLWHHTL-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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

trans-Isolimonene
CID 22831540
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
2-Octene, 3,7-dimethyl-, (Z)-
CID 5352959
3-Propyl-1-cyclopentene
CID 36671
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
2-Menthene
CID 517974
2,4-Dimethyl-2-decene
CID 522542
(3S,6R)-3-Isopropyl-6-methylcyclohexene
CID 6431933
(3Z)-9-Methyl-3-undecene
CID 550666
1-Isopropylcyclopentene
CID 137017
3-Ethylcyclohex-1-ene
CID 137724
1,3-Dimethyl-1-cyclohexene
CID 137726

Frequently Asked Questions

What is the IUPAC name of 3-methylcycloheptene?
The IUPAC name of 3-methylcycloheptene (CID 524409) is 3-methylcycloheptene.
What is the SMILES notation for 3-methylcycloheptene?
The canonical SMILES for 3-methylcycloheptene is CC1C=CCCCC1.
What is the InChIKey of 3-methylcycloheptene?
The InChIKey is DVNBPKQOLWHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 3-methylcycloheptene?
3-methylcycloheptene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcycloheptene is sourced from PubChem (CID 524409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).