(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol

C19H30O3 — CID 15372294

IUPAC(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol
SMILESCCCC[C@H](C/C=C/[C@@H](O)CCCO)OCc1ccccc1
InChIInChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19-/m1/s1
InChIKeySZJURUYDXRVLTD-BLRGSVSVSA-N
MW306.45 g/mol
LogP3.84
Rot. Bonds12

About (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol

(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol (PubChem CID 15372294) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol.

Molecular Properties

Compound Name(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol
PubChem CID15372294
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol
SMILESCCCC[C@H](C/C=C/[C@@H](O)CCCO)OCc1ccccc1
InChIInChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19-/m1/s1
InChIKeySZJURUYDXRVLTD-BLRGSVSVSA-N
XLogP3.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol 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

4-phenylmethoxynonadecan-1-ol
CID 15735676
2-[(Z,4R)-4-phenylmethoxyoct-1-enyl]furan
CID 10731799
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
14-hydroxy-5-phenylmethoxyoctadecanoic acid
CID 101300135
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
CID 14764351
(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
CID 134895948
oct-1-yn-4-yloxymethylbenzene
CID 154226048
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649

Frequently Asked Questions

What is the IUPAC name of (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol?
The IUPAC name of (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol (CID 15372294) is (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol.
What is the SMILES notation for (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol?
The canonical SMILES for (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol is CCCC[C@H](C/C=C/[C@@H](O)CCCO)OCc1ccccc1.
What is the InChIKey of (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol?
The InChIKey is SZJURUYDXRVLTD-BLRGSVSVSA-N. The full InChI is InChI=1S/C19H30O3/c1-2-3-13-19(14-7-11-18(21)12-8-15-20)22-16-17-9-5-4-6-10-17/h4-7,9-11,18-21H,2-3,8,12-16H2,1H3/b11-7+/t18-,19-/m1/s1.
What are the key properties of (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol?
(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol has a molecular weight of 306.45 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol is sourced from PubChem (CID 15372294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).