3-(3-methylcyclopentyl)cycloheptene

C13H22 — CID 163966281

IUPAC3-(3-methylcyclopentyl)cycloheptene
SMILESCC1CCC(C2C=CCCCC2)C1
InChIInChI=1S/C13H22/c1-11-8-9-13(10-11)12-6-4-2-3-5-7-12/h4,6,11-13H,2-3,5,7-10H2,1H3
InChIKeySMBLMJOEWBLRHQ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 3-(3-methylcyclopentyl)cycloheptene

3-(3-methylcyclopentyl)cycloheptene (PubChem CID 163966281) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-(3-methylcyclopentyl)cycloheptene.

Molecular Properties

Compound Name3-(3-methylcyclopentyl)cycloheptene
PubChem CID163966281
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-(3-methylcyclopentyl)cycloheptene
SMILESCC1CCC(C2C=CCCCC2)C1
InChIInChI=1S/C13H22/c1-11-8-9-13(10-11)12-6-4-2-3-5-7-12/h4,6,11-13H,2-3,5,7-10H2,1H3
InChIKeySMBLMJOEWBLRHQ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
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

(3R)-3-cyclohexylcycloheptene
CID 72711475
(1S,2Z,8R)-bicyclo[6.1.0]non-2-ene
CID 12739610
3-(3-methoxycyclohexyl)cyclohexene
CID 89299803
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
(1E)-3-[(4R)-4-hexylcycloheptyl]cyclooctene
CID 144601033
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
N-(3-methylcyclopentyl)cyclohex-2-en-1-amine
CID 115893652
(1Z)-3-methylcyclooctene
CID 5352586
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(1E)-3-methylcyclodecene
CID 5352563
(1Z)-3-methylcyclopentadecene
CID 140520640

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclopentyl)cycloheptene?
The IUPAC name of 3-(3-methylcyclopentyl)cycloheptene (CID 163966281) is 3-(3-methylcyclopentyl)cycloheptene.
What is the SMILES notation for 3-(3-methylcyclopentyl)cycloheptene?
The canonical SMILES for 3-(3-methylcyclopentyl)cycloheptene is CC1CCC(C2C=CCCCC2)C1.
What is the InChIKey of 3-(3-methylcyclopentyl)cycloheptene?
The InChIKey is SMBLMJOEWBLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-11-8-9-13(10-11)12-6-4-2-3-5-7-12/h4,6,11-13H,2-3,5,7-10H2,1H3.
What are the key properties of 3-(3-methylcyclopentyl)cycloheptene?
3-(3-methylcyclopentyl)cycloheptene has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclopentyl)cycloheptene is sourced from PubChem (CID 163966281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).