acetic acid;5,9-dimethyldeca-4,8-dien-1-ol

C14H26O3 — CID 71328241

IUPACacetic acid;5,9-dimethyldeca-4,8-dien-1-ol
SMILESCC(=O)O.CC(C)=CCCC(C)=CCCCO
InChIInChI=1S/C12H22O.C2H4O2/c1-11(2)7-6-9-12(3)8-4-5-10-13;1-2(3)4/h7-8,13H,4-6,9-10H2,1-3H3;1H3,(H,3,4)
InChIKeyKNFSLDFZRUXYJR-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.54
Rot. Bonds6

About acetic acid;5,9-dimethyldeca-4,8-dien-1-ol

acetic acid;5,9-dimethyldeca-4,8-dien-1-ol (PubChem CID 71328241) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is acetic acid;5,9-dimethyldeca-4,8-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;5,9-dimethyldeca-4,8-dien-1-ol
PubChem CID71328241
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameacetic acid;5,9-dimethyldeca-4,8-dien-1-ol
SMILESCC(=O)O.CC(C)=CCCC(C)=CCCCO
InChIInChI=1S/C12H22O.C2H4O2/c1-11(2)7-6-9-12(3)8-4-5-10-13;1-2(3)4/h7-8,13H,4-6,9-10H2,1-3H3;1H3,(H,3,4)
InChIKeyKNFSLDFZRUXYJR-UHFFFAOYSA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.54
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

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
cyclopropyloxycyclopropane;(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 67790296
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(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

Frequently Asked Questions

What is the IUPAC name of acetic acid;5,9-dimethyldeca-4,8-dien-1-ol?
The IUPAC name of acetic acid;5,9-dimethyldeca-4,8-dien-1-ol (CID 71328241) is acetic acid;5,9-dimethyldeca-4,8-dien-1-ol.
What is the SMILES notation for acetic acid;5,9-dimethyldeca-4,8-dien-1-ol?
The canonical SMILES for acetic acid;5,9-dimethyldeca-4,8-dien-1-ol is CC(=O)O.CC(C)=CCCC(C)=CCCCO.
What is the InChIKey of acetic acid;5,9-dimethyldeca-4,8-dien-1-ol?
The InChIKey is KNFSLDFZRUXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C2H4O2/c1-11(2)7-6-9-12(3)8-4-5-10-13;1-2(3)4/h7-8,13H,4-6,9-10H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;5,9-dimethyldeca-4,8-dien-1-ol?
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5,9-dimethyldeca-4,8-dien-1-ol is sourced from PubChem (CID 71328241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).