3-(4-methylpent-1-enylidene)nonan-2-ol

C15H28O — CID 134885373

IUPAC3-(4-methylpent-1-enylidene)nonan-2-ol
SMILESCCCCCCC(=C=CCC(C)C)C(C)O
InChIInChI=1S/C15H28O/c1-5-6-7-8-11-15(14(4)16)12-9-10-13(2)3/h9,13-14,16H,5-8,10-11H2,1-4H3
InChIKeyWIHAICYIELYOAQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.47
Rot. Bonds8

About 3-(4-methylpent-1-enylidene)nonan-2-ol

3-(4-methylpent-1-enylidene)nonan-2-ol (PubChem CID 134885373) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(4-methylpent-1-enylidene)nonan-2-ol.

Molecular Properties

Compound Name3-(4-methylpent-1-enylidene)nonan-2-ol
PubChem CID134885373
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-(4-methylpent-1-enylidene)nonan-2-ol
SMILESCCCCCCC(=C=CCC(C)C)C(C)O
InChIInChI=1S/C15H28O/c1-5-6-7-8-11-15(14(4)16)12-9-10-13(2)3/h9,13-14,16H,5-8,10-11H2,1-4H3
InChIKeyWIHAICYIELYOAQ-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.47
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

octane;propan-2-ol
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2-hydroxyicosan-3-one
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tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
9,10-dioctyloctadec-9-ene
CID 10814462
2-propylidenedecane-1,1-diol
CID 174657973
2-methylhexadecan-4-one
CID 63411798
4-methyltetradec-3-en-2-ol
CID 71428210
henicosan-2-ol
CID 14151023
heptane;heptan-2-ol
CID 157400640

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-1-enylidene)nonan-2-ol?
The IUPAC name of 3-(4-methylpent-1-enylidene)nonan-2-ol (CID 134885373) is 3-(4-methylpent-1-enylidene)nonan-2-ol.
What is the SMILES notation for 3-(4-methylpent-1-enylidene)nonan-2-ol?
The canonical SMILES for 3-(4-methylpent-1-enylidene)nonan-2-ol is CCCCCCC(=C=CCC(C)C)C(C)O.
What is the InChIKey of 3-(4-methylpent-1-enylidene)nonan-2-ol?
The InChIKey is WIHAICYIELYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-7-8-11-15(14(4)16)12-9-10-13(2)3/h9,13-14,16H,5-8,10-11H2,1-4H3.
What are the key properties of 3-(4-methylpent-1-enylidene)nonan-2-ol?
3-(4-methylpent-1-enylidene)nonan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-1-enylidene)nonan-2-ol is sourced from PubChem (CID 134885373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).