2-(1-methoxycyclohexyl)-2-methylpropanal

C11H20O2 — CID 174714485

IUPAC2-(1-methoxycyclohexyl)-2-methylpropanal
SMILESCOC1(C(C)(C)C=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,9-12)11(13-3)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyFMSSPTICOBSGHA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds3

About 2-(1-methoxycyclohexyl)-2-methylpropanal

2-(1-methoxycyclohexyl)-2-methylpropanal (PubChem CID 174714485) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-2-methylpropanal
PubChem CID174714485
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(1-methoxycyclohexyl)-2-methylpropanal
SMILESCOC1(C(C)(C)C=O)CCCCC1
InChIInChI=1S/C11H20O2/c1-10(2,9-12)11(13-3)7-5-4-6-8-11/h9H,4-8H2,1-3H3
InChIKeyFMSSPTICOBSGHA-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-methoxycyclohexyl)-2-methylpropanal 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 2-(1-methoxycyclohexyl)-2-methylpropanal?
The IUPAC name of 2-(1-methoxycyclohexyl)-2-methylpropanal (CID 174714485) is 2-(1-methoxycyclohexyl)-2-methylpropanal.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-2-methylpropanal?
The canonical SMILES for 2-(1-methoxycyclohexyl)-2-methylpropanal is COC1(C(C)(C)C=O)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-2-methylpropanal?
The InChIKey is FMSSPTICOBSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,9-12)11(13-3)7-5-4-6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-(1-methoxycyclohexyl)-2-methylpropanal?
2-(1-methoxycyclohexyl)-2-methylpropanal has a molecular weight of 184.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-2-methylpropanal is sourced from PubChem (CID 174714485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).