acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol

C15H26O3 — CID 71345657

IUPACacetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
SMILESCC(=O)O.CCC=CC(C)=CCCC(C)=CCO
InChIInChI=1S/C13H22O.C2H4O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14;1-2(3)4/h5,7-8,10,14H,4,6,9,11H2,1-3H3;1H3,(H,3,4)
InChIKeyPSXLZFDEAXYAHW-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.71
Rot. Bonds6

About acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol

acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol (PubChem CID 71345657) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol.

Molecular Properties

Compound Nameacetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
PubChem CID71345657
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameacetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol
SMILESCC(=O)O.CCC=CC(C)=CCCC(C)=CCO
InChIInChI=1S/C13H22O.C2H4O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14;1-2(3)4/h5,7-8,10,14H,4,6,9,11H2,1-3H3;1H3,(H,3,4)
InChIKeyPSXLZFDEAXYAHW-UHFFFAOYSA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
(E)-but-2-enoic acid;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 175185571
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
7,11-dimethyldodeca-3,6,10-trien-5-one
CID 54142162
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
3-methylocta-2,6-dien-1-ol
CID 57183202
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589

Frequently Asked Questions

What is the IUPAC name of acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol?
The IUPAC name of acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol (CID 71345657) is acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol.
What is the SMILES notation for acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol?
The canonical SMILES for acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol is CC(=O)O.CCC=CC(C)=CCCC(C)=CCO.
What is the InChIKey of acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol?
The InChIKey is PSXLZFDEAXYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O.C2H4O2/c1-4-5-7-12(2)8-6-9-13(3)10-11-14;1-2(3)4/h5,7-8,10,14H,4,6,9,11H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol?
acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3,7-dimethylundeca-2,6,8-trien-1-ol is sourced from PubChem (CID 71345657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).