acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol

C15H28O3 — CID 71344532

IUPACacetic acid;7-methyl-3-propylnona-2,6-dien-1-ol
SMILESCC(=O)O.CCCC(=CCO)CCC=C(C)CC
InChIInChI=1S/C13H24O.C2H4O2/c1-4-7-13(10-11-14)9-6-8-12(3)5-2;1-2(3)4/h8,10,14H,4-7,9,11H2,1-3H3;1H3,(H,3,4)
InChIKeyXWNWXXJHZMBIFV-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.93
Rot. Bonds7

About acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol

acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol (PubChem CID 71344532) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;7-methyl-3-propylnona-2,6-dien-1-ol
PubChem CID71344532
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameacetic acid;7-methyl-3-propylnona-2,6-dien-1-ol
SMILESCC(=O)O.CCCC(=CCO)CCC=C(C)CC
InChIInChI=1S/C13H24O.C2H4O2/c1-4-7-13(10-11-14)9-6-8-12(3)5-2;1-2(3)4/h8,10,14H,4-7,9,11H2,1-3H3;1H3,(H,3,4)
InChIKeyXWNWXXJHZMBIFV-UHFFFAOYSA-N
XLogP3.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methylhept-4-enoic acid
CID 83694352
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
(E)-7-methylnon-6-en-3-one
CID 22749805
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
7-ethyl-2,3,11-trimethyltrideca-2,6,10-trienoic acid
CID 173458043
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(E)-2-propylbut-2-ene-1,4-diol
CID 13265476

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol?
The IUPAC name of acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol (CID 71344532) is acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol.
What is the SMILES notation for acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol?
The canonical SMILES for acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol is CC(=O)O.CCCC(=CCO)CCC=C(C)CC.
What is the InChIKey of acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol?
The InChIKey is XWNWXXJHZMBIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C2H4O2/c1-4-7-13(10-11-14)9-6-8-12(3)5-2;1-2(3)4/h8,10,14H,4-7,9,11H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol?
acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol is sourced from PubChem (CID 71344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).