[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate

C15H24O2 — CID 88785059

IUPAC[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate
SMILESCC1(C)CCC(=CC2C(OC=O)C2(C)C)CC1
InChIInChI=1S/C15H24O2/c1-14(2)7-5-11(6-8-14)9-12-13(17-10-16)15(12,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyAMRLCMAEPBATGU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.71
Rot. Bonds3

About [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate

[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate (PubChem CID 88785059) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate.

Molecular Properties

Compound Name[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate
PubChem CID88785059
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate
SMILESCC1(C)CCC(=CC2C(OC=O)C2(C)C)CC1
InChIInChI=1S/C15H24O2/c1-14(2)7-5-11(6-8-14)9-12-13(17-10-16)15(12,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyAMRLCMAEPBATGU-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate 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 [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate?
The IUPAC name of [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate (CID 88785059) is [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate.
What is the SMILES notation for [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate?
The canonical SMILES for [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate is CC1(C)CCC(=CC2C(OC=O)C2(C)C)CC1.
What is the InChIKey of [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate?
The InChIKey is AMRLCMAEPBATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)7-5-11(6-8-14)9-12-13(17-10-16)15(12,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate?
[3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate has a molecular weight of 236.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,4-dimethylcyclohexylidene)methyl]-2,2-dimethylcyclopropyl] formate is sourced from PubChem (CID 88785059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).