(2-methylcyclohexyl) (E)-but-2-enoate

C11H18O2 — CID 130359128

IUPAC(2-methylcyclohexyl) (E)-but-2-enoate
SMILESC/C=C/C(=O)OC1CCCCC1C
InChIInChI=1S/C11H18O2/c1-3-6-11(12)13-10-8-5-4-7-9(10)2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZPPWFHHHHMMDHS-ZZXKWVIFSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About (2-methylcyclohexyl) (E)-but-2-enoate

(2-methylcyclohexyl) (E)-but-2-enoate (PubChem CID 130359128) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2-methylcyclohexyl) (E)-but-2-enoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) (E)-but-2-enoate
PubChem CID130359128
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2-methylcyclohexyl) (E)-but-2-enoate
SMILESC/C=C/C(=O)OC1CCCCC1C
InChIInChI=1S/C11H18O2/c1-3-6-11(12)13-10-8-5-4-7-9(10)2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyZPPWFHHHHMMDHS-ZZXKWVIFSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methylcyclohexyl) (E)-but-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 (2-methylcyclohexyl) (E)-but-2-enoate?
The IUPAC name of (2-methylcyclohexyl) (E)-but-2-enoate (CID 130359128) is (2-methylcyclohexyl) (E)-but-2-enoate.
What is the SMILES notation for (2-methylcyclohexyl) (E)-but-2-enoate?
The canonical SMILES for (2-methylcyclohexyl) (E)-but-2-enoate is C/C=C/C(=O)OC1CCCCC1C.
What is the InChIKey of (2-methylcyclohexyl) (E)-but-2-enoate?
The InChIKey is ZPPWFHHHHMMDHS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-11(12)13-10-8-5-4-7-9(10)2/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of (2-methylcyclohexyl) (E)-but-2-enoate?
(2-methylcyclohexyl) (E)-but-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) (E)-but-2-enoate is sourced from PubChem (CID 130359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).