CID 11371089

C14H15O2 — CID 11371089

IUPAC—
SMILESCCOC(=O)/C=C/C=C/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H15O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h3-12H,2H2,1H3/b4-3+,9-5+,12-6+
InChIKeyZPWQGDAPOWAFBK-IVYRDCTNSA-N
MW215.27 g/mol
LogP2.62
Rot. Bonds5

About CID 11371089

CID 11371089 (PubChem CID 11371089) has the molecular formula C14H15O2 and a molecular weight of 215.27 g/mol.

Molecular Properties

Compound NameCID 11371089
PubChem CID11371089
Molecular FormulaC14H15O2
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name—
SMILESCCOC(=O)/C=C/C=C/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C14H15O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h3-12H,2H2,1H3/b4-3+,9-5+,12-6+
InChIKeyZPWQGDAPOWAFBK-IVYRDCTNSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 11371089 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

ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (2E,4E,6E)-7-(1,3-thiazol-2-yl)hepta-2,4,6-trienoate
CID 162647645
ethyl 5-(4-aminophenyl)penta-2,4-dienoate;hydrochloride
CID 140968194
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
(2E,4E)-6-ethoxy-6-oxohexa-2,4-dienoic acid
CID 15576075
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl hepta-2,4-dienoate
CID 54483010
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2E,4E)-5-[2-(dimethylamino)-1,3-thiazol-5-yl]penta-2,4-dienoate
CID 162429677
ethyl (2E,4E)-5-(1-benzothiophen-2-yl)penta-2,4-dienoate
CID 23650873

Frequently Asked Questions

What is the IUPAC name of CID 11371089?
The IUPAC name of CID 11371089 (CID 11371089) is not available.
What is the SMILES notation for CID 11371089?
The canonical SMILES for CID 11371089 is CCOC(=O)/C=C/C=C/C=C/[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11371089?
The InChIKey is ZPWQGDAPOWAFBK-IVYRDCTNSA-N. The full InChI is InChI=1S/C14H15O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h3-12H,2H2,1H3/b4-3+,9-5+,12-6+.
What are the key properties of CID 11371089?
CID 11371089 has a molecular weight of 215.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11371089 is sourced from PubChem (CID 11371089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).