(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol

C19H30O2 — CID 134846538

IUPAC(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
SMILESC=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCO
InChIInChI=1S/C19H30O2/c1-3-5-7-14-19(18(4-2)13-10-15-20)21-16-17-11-8-6-9-12-17/h3,6,8-9,11-12,18-20H,1,4-5,7,10,13-16H2,2H3/t18-,19-/m1/s1
InChIKeyOBDDJDHEOLYUFW-RTBURBONSA-N
MW290.45 g/mol
LogP4.73
Rot. Bonds12

About (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol

(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol (PubChem CID 134846538) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
PubChem CID134846538
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
SMILESC=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCO
InChIInChI=1S/C19H30O2/c1-3-5-7-14-19(18(4-2)13-10-15-20)21-16-17-11-8-6-9-12-17/h3,6,8-9,11-12,18-20H,1,4-5,7,10,13-16H2,2H3/t18-,19-/m1/s1
InChIKeyOBDDJDHEOLYUFW-RTBURBONSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-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

7-methyl-6-phenylmethoxynonan-1-ol
CID 174832736
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
hex-5-en-1-ol;methoxymethylbenzene
CID 143092663
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
benzyl N-[(4S,5S)-8-hydroxy-5-phenylmethoxyoct-1-en-4-yl]carbamate
CID 11234457
benzyl carbamate;pent-4-en-1-ol
CID 155699875
4-phenylmethoxynonadecan-1-ol
CID 15735676
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxymethylbenzene
CID 11055780
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
(E,2R,3S)-3-phenylmethoxynon-5-ene-1,2,9-triol
CID 100933874

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol?
The IUPAC name of (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol (CID 134846538) is (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol.
What is the SMILES notation for (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol?
The canonical SMILES for (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol is C=CCCC[C@@H](OCc1ccccc1)[C@H](CC)CCCO.
What is the InChIKey of (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol?
The InChIKey is OBDDJDHEOLYUFW-RTBURBONSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-7-14-19(18(4-2)13-10-15-20)21-16-17-11-8-6-9-12-17/h3,6,8-9,11-12,18-20H,1,4-5,7,10,13-16H2,2H3/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol?
(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol is sourced from PubChem (CID 134846538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).