5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid

C14H24O3 — CID 19347702

IUPAC5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid
SMILESC=C(CCC(OCC)C1CCCCC1)C(=O)O
InChIInChI=1S/C14H24O3/c1-3-17-13(10-9-11(2)14(15)16)12-7-5-4-6-8-12/h12-13H,2-10H2,1H3,(H,15,16)
InChIKeyPMLWOMTXEPWKIX-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.39
Rot. Bonds7

About 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid

5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid (PubChem CID 19347702) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid
PubChem CID19347702
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid
SMILESC=C(CCC(OCC)C1CCCCC1)C(=O)O
InChIInChI=1S/C14H24O3/c1-3-17-13(10-9-11(2)14(15)16)12-7-5-4-6-8-12/h12-13H,2-10H2,1H3,(H,15,16)
InChIKeyPMLWOMTXEPWKIX-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deoxysporothric acid
CID 139589830
Epideoxysporothric acid
CID 146682712
Aspertamarinolide B
CID 156582844
2-(5,9a-Dimethyl-2-oxo-3,4,4a,5,6,7,8,9-octahydrocyclohepta[b]pyran-8-yl)prop-2-enoic acid
CID 133053862
cis-methyl (1S,3R)-3-[(1R)-1-hydroxypropyl]-4-methylidenecyclohexane-1-carboxylate
CID 10512730
propan-2-yl (4R)-4-[(S)-cyclohexyl(hydroxy)methyl]hex-5-enoate
CID 162403588
2-(2-Oxo-6-propyloxan-3-yl)prop-2-enoic acid
CID 23757160
methyl 2-[(1S,3S,5R)-5-acetyl-3-hydroxy-2-methylidenecyclohexyl]acetate
CID 11183729
methyl 2-[(1S,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]acetate
CID 11241964
2-[(1R,3S,4R)-3-hydroxy-4-[(4S)-4-hydroxypentyl]-4-methylcyclohexyl]prop-2-enoic acid
CID 163067605
4-Ethyl-5-hydroxy-2-methylideneoctanoic acid
CID 17787259
2-Methylidene-4-(oxan-2-yl)butanoic acid
CID 17871985

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid?
The IUPAC name of 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid (CID 19347702) is 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid.
What is the SMILES notation for 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid?
The canonical SMILES for 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid is C=C(CCC(OCC)C1CCCCC1)C(=O)O.
What is the InChIKey of 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid?
The InChIKey is PMLWOMTXEPWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-17-13(10-9-11(2)14(15)16)12-7-5-4-6-8-12/h12-13H,2-10H2,1H3,(H,15,16).
What are the key properties of 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid?
5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-ethoxy-2-methylidenepentanoic acid is sourced from PubChem (CID 19347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).