(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol

C19H28O2 — CID 11150405

IUPAC(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
SMILESCCCCC[C@@H](/C=C/C=C\CCO)OCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15,19-20H,2-3,7,11,14,16-17H2,1H3/b5-4-,15-10+/t19-/m0/s1
InChIKeyBQPPCSMZFFLLDN-LKYODJDHSA-N
MW288.43 g/mol
LogP4.65
Rot. Bonds11

About (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol

(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol (PubChem CID 11150405) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
PubChem CID11150405
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
SMILESCCCCC[C@@H](/C=C/C=C\CCO)OCc1ccccc1
InChIInChI=1S/C19H28O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15,19-20H,2-3,7,11,14,16-17H2,1H3/b5-4-,15-10+/t19-/m0/s1
InChIKeyBQPPCSMZFFLLDN-LKYODJDHSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol 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

(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal
CID 11449051
(3S,4E,6E)-9-(methoxymethoxy)-3-phenylmethoxynona-4,6-dien-1-ol
CID 11232033
(E,3S,6S)-3-[(1R)-3,3-dimethoxy-1-phenylmethoxypropyl]-6-phenylmethoxyundec-4-en-1-ol
CID 11145338
(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
CID 66560580
4-phenylmethoxynonadecan-1-ol
CID 15735676
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
methyl (E,4R)-8-hydroxy-4-phenylmethoxyoct-2-enoate
CID 11832740
(E,2R,3R)-2-phenylmethoxyoctadec-4-ene-1,3-diol
CID 11047429
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
1-phenylmethoxydecan-1-ol
CID 152749890
(4R,5S,8S)-5-ethenyl-4,8-bis(phenylmethoxy)tridec-6-enal
CID 86746684

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol?
The IUPAC name of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol (CID 11150405) is (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol is CCCCC[C@@H](/C=C/C=C\CCO)OCc1ccccc1.
What is the InChIKey of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol?
The InChIKey is BQPPCSMZFFLLDN-LKYODJDHSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15,19-20H,2-3,7,11,14,16-17H2,1H3/b5-4-,15-10+/t19-/m0/s1.
What are the key properties of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol?
(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol has a molecular weight of 288.43 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol is sourced from PubChem (CID 11150405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).