2-non-8-enyl-5-phenylpentane-1,3-diol

C20H32O2 — CID 71610289

IUPAC2-non-8-enyl-5-phenylpentane-1,3-diol
SMILESC=CCCCCCCCC(CO)C(O)CCc1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-11-14-19(17-21)20(22)16-15-18-12-9-8-10-13-18/h2,8-10,12-13,19-22H,1,3-7,11,14-17H2
InChIKeyKFVFLWYNAHQVFA-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.51
Rot. Bonds13

About 2-non-8-enyl-5-phenylpentane-1,3-diol

2-non-8-enyl-5-phenylpentane-1,3-diol (PubChem CID 71610289) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-non-8-enyl-5-phenylpentane-1,3-diol.

Molecular Properties

Compound Name2-non-8-enyl-5-phenylpentane-1,3-diol
PubChem CID71610289
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-non-8-enyl-5-phenylpentane-1,3-diol
SMILESC=CCCCCCCCC(CO)C(O)CCc1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-11-14-19(17-21)20(22)16-15-18-12-9-8-10-13-18/h2,8-10,12-13,19-22H,1,3-7,11,14-17H2
InChIKeyKFVFLWYNAHQVFA-UHFFFAOYSA-N
XLogP4.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15608161
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dec-9-en-1-ol;phenylmethanol
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(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
(3S)-3-(9-phenylnonanoyloxy)pentadec-14-enoic acid
CID 163513665
hex-5-enyl-dimethyl-(4-phenylbutan-2-yl)silane
CID 146915207
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
but-3-enylbenzene;silver
CID 174999453
(2S)-1-phenylhex-5-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-non-8-enyl-5-phenylpentane-1,3-diol?
The IUPAC name of 2-non-8-enyl-5-phenylpentane-1,3-diol (CID 71610289) is 2-non-8-enyl-5-phenylpentane-1,3-diol.
What is the SMILES notation for 2-non-8-enyl-5-phenylpentane-1,3-diol?
The canonical SMILES for 2-non-8-enyl-5-phenylpentane-1,3-diol is C=CCCCCCCCC(CO)C(O)CCc1ccccc1.
What is the InChIKey of 2-non-8-enyl-5-phenylpentane-1,3-diol?
The InChIKey is KFVFLWYNAHQVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-11-14-19(17-21)20(22)16-15-18-12-9-8-10-13-18/h2,8-10,12-13,19-22H,1,3-7,11,14-17H2.
What are the key properties of 2-non-8-enyl-5-phenylpentane-1,3-diol?
2-non-8-enyl-5-phenylpentane-1,3-diol has a molecular weight of 304.47 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-enyl-5-phenylpentane-1,3-diol is sourced from PubChem (CID 71610289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).