1,2,3-trimethylcycloheptane

C10H20 — CID 54005509

IUPAC1,2,3-trimethylcycloheptane
SMILESCC1CCCCC(C)C1C
InChIInChI=1S/C10H20/c1-8-6-4-5-7-9(2)10(8)3/h8-10H,4-7H2,1-3H3
InChIKeyAOAOTQWOPAKPEL-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds

About 1,2,3-trimethylcycloheptane

1,2,3-trimethylcycloheptane (PubChem CID 54005509) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1,2,3-trimethylcycloheptane.

Molecular Properties

Compound Name1,2,3-trimethylcycloheptane
PubChem CID54005509
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1,2,3-trimethylcycloheptane
SMILESCC1CCCCC(C)C1C
InChIInChI=1S/C10H20/c1-8-6-4-5-7-9(2)10(8)3/h8-10H,4-7H2,1-3H3
InChIKeyAOAOTQWOPAKPEL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethylcycloheptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcycloheptane?
The IUPAC name of 1,2,3-trimethylcycloheptane (CID 54005509) is 1,2,3-trimethylcycloheptane.
What is the SMILES notation for 1,2,3-trimethylcycloheptane?
The canonical SMILES for 1,2,3-trimethylcycloheptane is CC1CCCCC(C)C1C.
What is the InChIKey of 1,2,3-trimethylcycloheptane?
The InChIKey is AOAOTQWOPAKPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-8-6-4-5-7-9(2)10(8)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,2,3-trimethylcycloheptane?
1,2,3-trimethylcycloheptane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcycloheptane is sourced from PubChem (CID 54005509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).