(3S)-4-ethenylidenenonan-3-ol

C11H20O — CID 101219622

IUPAC(3S)-4-ethenylidenenonan-3-ol
SMILESC=C=C(CCCCC)[C@@H](O)CC
InChIInChI=1S/C11H20O/c1-4-7-8-9-10(5-2)11(12)6-3/h11-12H,2,4,6-9H2,1,3H3/t11-/m0/s1
InChIKeyQAKAFYLLAZEPPT-NSHDSACASA-N
MW168.28 g/mol
LogP3.05
Rot. Bonds6

About (3S)-4-ethenylidenenonan-3-ol

(3S)-4-ethenylidenenonan-3-ol (PubChem CID 101219622) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-4-ethenylidenenonan-3-ol.

Molecular Properties

Compound Name(3S)-4-ethenylidenenonan-3-ol
PubChem CID101219622
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S)-4-ethenylidenenonan-3-ol
SMILESC=C=C(CCCCC)[C@@H](O)CC
InChIInChI=1S/C11H20O/c1-4-7-8-9-10(5-2)11(12)6-3/h11-12H,2,4,6-9H2,1,3H3/t11-/m0/s1
InChIKeyQAKAFYLLAZEPPT-NSHDSACASA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylnona-1,2-dien-4-ol
CID 86016621
3-ethenylidene-2-ethylheptanoic acid
CID 86080137
[(3R)-4-ethenylideneoctan-3-yl] acetate
CID 101219632
(3S)-5-ethenylidenenonan-3-ol
CID 71419853
decanoic acid;2-hydroxybutanoic acid
CID 87148491
19-(1-hydroxypropyl)heptatriacontane-18,20-dione
CID 173146243
3-ethenylideneoctanoic acid
CID 174833719
tributyl(nona-1,2-dien-3-yl)stannane
CID 86089506
3-(4-methylpent-1-enylidene)nonan-2-ol
CID 134885373
2-ethenylidene-1-(4-methoxyphenyl)hexan-1-ol
CID 102480284
octane;propan-2-ol
CID 160746796
3-hydroxynonane-4,5-dione
CID 89212568

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethenylidenenonan-3-ol?
The IUPAC name of (3S)-4-ethenylidenenonan-3-ol (CID 101219622) is (3S)-4-ethenylidenenonan-3-ol.
What is the SMILES notation for (3S)-4-ethenylidenenonan-3-ol?
The canonical SMILES for (3S)-4-ethenylidenenonan-3-ol is C=C=C(CCCCC)[C@@H](O)CC.
What is the InChIKey of (3S)-4-ethenylidenenonan-3-ol?
The InChIKey is QAKAFYLLAZEPPT-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-8-9-10(5-2)11(12)6-3/h11-12H,2,4,6-9H2,1,3H3/t11-/m0/s1.
What are the key properties of (3S)-4-ethenylidenenonan-3-ol?
(3S)-4-ethenylidenenonan-3-ol has a molecular weight of 168.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethenylidenenonan-3-ol is sourced from PubChem (CID 101219622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).