1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate

C14H24O2 — CID 69273036

IUPAC1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1(C)CCCCC1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-12(3)10-14(4)8-6-5-7-9-14/h12H,1,5-10H2,2-4H3
InChIKeyWNCMCDRRJDMOGU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds4

About 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate

1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 69273036) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID69273036
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC1(C)CCCCC1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-12(3)10-14(4)8-6-5-7-9-14/h12H,1,5-10H2,2-4H3
InChIKeyWNCMCDRRJDMOGU-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate 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-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate (CID 69273036) is 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is WNCMCDRRJDMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)13(15)16-12(3)10-14(4)8-6-5-7-9-14/h12H,1,5-10H2,2-4H3.
What are the key properties of 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate?
1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 69273036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).