4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol

C17H30O — CID 156748576

IUPAC4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
SMILESCCC(=CCCO)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-17(13-8-14-18)12-7-11-16(4)10-6-9-15(2)3/h9,11,13,18H,5-8,10,12,14H2,1-4H3
InChIKeyWTBSQBXNIXRFKR-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.18
Rot. Bonds9

About 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol

4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol (PubChem CID 156748576) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol.

Molecular Properties

Compound Name4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
PubChem CID156748576
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
SMILESCCC(=CCCO)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-17(13-8-14-18)12-7-11-16(4)10-6-9-15(2)3/h9,11,13,18H,5-8,10,12,14H2,1-4H3
InChIKeyWTBSQBXNIXRFKR-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 10236560
(2Z,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 23466450
(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(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
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol?
The IUPAC name of 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol (CID 156748576) is 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol.
What is the SMILES notation for 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol?
The canonical SMILES for 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol is CCC(=CCCO)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol?
The InChIKey is WTBSQBXNIXRFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-5-17(13-8-14-18)12-7-11-16(4)10-6-9-15(2)3/h9,11,13,18H,5-8,10,12,14H2,1-4H3.
What are the key properties of 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol?
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol has a molecular weight of 250.43 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol is sourced from PubChem (CID 156748576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).