1-(3,4-dimethylcyclopentyl)cycloheptene

C14H24 — CID 153303899

IUPAC1-(3,4-dimethylcyclopentyl)cycloheptene
SMILESCC1CC(C2=CCCCCC2)CC1C
InChIInChI=1S/C14H24/c1-11-9-14(10-12(11)2)13-7-5-3-4-6-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3
InChIKeyKNPJHCSWMFCSKV-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds1

About 1-(3,4-dimethylcyclopentyl)cycloheptene

1-(3,4-dimethylcyclopentyl)cycloheptene (PubChem CID 153303899) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclopentyl)cycloheptene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclopentyl)cycloheptene
PubChem CID153303899
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(3,4-dimethylcyclopentyl)cycloheptene
SMILESCC1CC(C2=CCCCCC2)CC1C
InChIInChI=1S/C14H24/c1-11-9-14(10-12(11)2)13-7-5-3-4-6-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3
InChIKeyKNPJHCSWMFCSKV-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylcyclopentyl)cycloheptene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578
3,9-di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 70500899
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
(3R,7S)-5-(cyclohexen-1-yl)-1,7-dimethyl-3-[(Z)-oct-3-enyl]cycloheptene;ethane
CID 142833950
(1R,2R)-2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
CID 71352495
(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
CID 163531079
2-(cyclohexen-1-yl)-1,3-dioxane
CID 57103168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclopentyl)cycloheptene?
The IUPAC name of 1-(3,4-dimethylcyclopentyl)cycloheptene (CID 153303899) is 1-(3,4-dimethylcyclopentyl)cycloheptene.
What is the SMILES notation for 1-(3,4-dimethylcyclopentyl)cycloheptene?
The canonical SMILES for 1-(3,4-dimethylcyclopentyl)cycloheptene is CC1CC(C2=CCCCCC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclopentyl)cycloheptene?
The InChIKey is KNPJHCSWMFCSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-11-9-14(10-12(11)2)13-7-5-3-4-6-8-13/h7,11-12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylcyclopentyl)cycloheptene?
1-(3,4-dimethylcyclopentyl)cycloheptene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclopentyl)cycloheptene is sourced from PubChem (CID 153303899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).