phenyl 2-(3-cyclohexylcyclobutylidene)acetate

C18H22O2 — CID 132580213

IUPACphenyl 2-(3-cyclohexylcyclobutylidene)acetate
SMILESO=C(C=C1CC(C2CCCCC2)C1)Oc1ccccc1
InChIInChI=1S/C18H22O2/c19-18(20-17-9-5-2-6-10-17)13-14-11-16(12-14)15-7-3-1-4-8-15/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2/b14-13-
InChIKeyCTKMYYBTSRDHAB-YPKPFQOOSA-N
MW270.37 g/mol
LogP4.51
Rot. Bonds3

About phenyl 2-(3-cyclohexylcyclobutylidene)acetate

phenyl 2-(3-cyclohexylcyclobutylidene)acetate (PubChem CID 132580213) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is phenyl 2-(3-cyclohexylcyclobutylidene)acetate.

Molecular Properties

Compound Namephenyl 2-(3-cyclohexylcyclobutylidene)acetate
PubChem CID132580213
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Namephenyl 2-(3-cyclohexylcyclobutylidene)acetate
SMILESO=C(C=C1CC(C2CCCCC2)C1)Oc1ccccc1
InChIInChI=1S/C18H22O2/c19-18(20-17-9-5-2-6-10-17)13-14-11-16(12-14)15-7-3-1-4-8-15/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2/b14-13-
InChIKeyCTKMYYBTSRDHAB-YPKPFQOOSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl 2-(3-cyclohexylcyclobutylidene)acetate 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

hydron;phenyl cycloheptanecarboxylate
CID 174768034
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
phenyl N-cyclooctylcarbamate
CID 60636968
(4-phenylphenyl) (E)-3-cyclohexylprop-2-enoate
CID 20724342
diphenyl 3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1,1-dicarboxylate
CID 68743342
diphenyl 2-cyclopentylpropanedioate
CID 102478722
phenyl N-cyclopentylcarbamate
CID 12791466
diphenyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate
CID 153329333
phenyl 3-(azocan-1-yl)prop-2-enoate
CID 2751342
cyclohexylcyclohexane;2-hydroxybenzoic acid
CID 70398658
diphenyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3-dicarboxylate
CID 146503972
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(3-cyclohexylcyclobutylidene)acetate?
The IUPAC name of phenyl 2-(3-cyclohexylcyclobutylidene)acetate (CID 132580213) is phenyl 2-(3-cyclohexylcyclobutylidene)acetate.
What is the SMILES notation for phenyl 2-(3-cyclohexylcyclobutylidene)acetate?
The canonical SMILES for phenyl 2-(3-cyclohexylcyclobutylidene)acetate is O=C(C=C1CC(C2CCCCC2)C1)Oc1ccccc1.
What is the InChIKey of phenyl 2-(3-cyclohexylcyclobutylidene)acetate?
The InChIKey is CTKMYYBTSRDHAB-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H22O2/c19-18(20-17-9-5-2-6-10-17)13-14-11-16(12-14)15-7-3-1-4-8-15/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2/b14-13-.
What are the key properties of phenyl 2-(3-cyclohexylcyclobutylidene)acetate?
phenyl 2-(3-cyclohexylcyclobutylidene)acetate has a molecular weight of 270.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(3-cyclohexylcyclobutylidene)acetate is sourced from PubChem (CID 132580213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).