1,4,7-trimethylcycloheptene

C10H18 — CID 123852722

IUPAC1,4,7-trimethylcycloheptene
SMILESCC1=CCC(C)CCC1C
InChIInChI=1S/C10H18/c1-8-4-6-9(2)10(3)7-5-8/h6,8,10H,4-5,7H2,1-3H3
InChIKeyONFQAAPILRJOKO-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 1,4,7-trimethylcycloheptene

1,4,7-trimethylcycloheptene (PubChem CID 123852722) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,4,7-trimethylcycloheptene.

Molecular Properties

Compound Name1,4,7-trimethylcycloheptene
PubChem CID123852722
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,4,7-trimethylcycloheptene
SMILESCC1=CCC(C)CCC1C
InChIInChI=1S/C10H18/c1-8-4-6-9(2)10(3)7-5-8/h6,8,10H,4-5,7H2,1-3H3
InChIKeyONFQAAPILRJOKO-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4,7-trimethylcycloheptene 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

4,5-dimethylcyclohept-3-ene-1-carbaldehyde
CID 143847275
1,4-dimethyl(113C)cyclohexene
CID 11018826
1,7-dimethylcycloheptene
CID 13493194
4-chloro-1,6-dimethylcyclohexene
CID 143462672
(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
CID 121473261
(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
CID 91581522
2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine
CID 139565636
1,4-dimethylcyclodecene
CID 173437289
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
3,4-dimethylcyclohex-2-en-1-ol
CID 101312113
1-fluoro-4-methylcyclohexene
CID 23443585
2,5-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174601075

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethylcycloheptene?
The IUPAC name of 1,4,7-trimethylcycloheptene (CID 123852722) is 1,4,7-trimethylcycloheptene.
What is the SMILES notation for 1,4,7-trimethylcycloheptene?
The canonical SMILES for 1,4,7-trimethylcycloheptene is CC1=CCC(C)CCC1C.
What is the InChIKey of 1,4,7-trimethylcycloheptene?
The InChIKey is ONFQAAPILRJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-4-6-9(2)10(3)7-5-8/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 1,4,7-trimethylcycloheptene?
1,4,7-trimethylcycloheptene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethylcycloheptene is sourced from PubChem (CID 123852722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).