cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid

C18H28O4 — CID 174909348

IUPACcyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C(=O)OC1CCCCC1)C1CCCCC1.C=CC(=O)O
InChIInChI=1S/C15H24O2.C3H4O2/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14;1-2-3(4)5/h13-14H,1-11H2;2H,1H2,(H,4,5)
InChIKeyHWKHGZHGSKHIMT-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.26
Rot. Bonds4

About cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid

cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid (PubChem CID 174909348) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Namecyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
PubChem CID174909348
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namecyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C(=O)OC1CCCCC1)C1CCCCC1.C=CC(=O)O
InChIInChI=1S/C15H24O2.C3H4O2/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14;1-2-3(4)5/h13-14H,1-11H2;2H,1H2,(H,4,5)
InChIKeyHWKHGZHGSKHIMT-UHFFFAOYSA-N
XLogP4.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid 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 cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid (CID 174909348) is cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid is C=C(C(=O)OC1CCCCC1)C1CCCCC1.C=CC(=O)O.
What is the InChIKey of cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid?
The InChIKey is HWKHGZHGSKHIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C3H4O2/c1-12(13-8-4-2-5-9-13)15(16)17-14-10-6-3-7-11-14;1-2-3(4)5/h13-14H,1-11H2;2H,1H2,(H,4,5).
What are the key properties of cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid?
cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid has a molecular weight of 308.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-cyclohexylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 174909348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).