3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol

C16H28O — CID 54470288

IUPAC3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol
SMILESCC(C)=CCCC(C)CC(C)=CC(C)=CCO
InChIInChI=1S/C16H28O/c1-13(2)7-6-8-14(3)11-16(5)12-15(4)9-10-17/h7,9,12,14,17H,6,8,10-11H2,1-5H3
InChIKeyXHVSHVDVADUFQC-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.64
Rot. Bonds7

About 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol

3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol (PubChem CID 54470288) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol.

Molecular Properties

Compound Name3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol
PubChem CID54470288
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol
SMILESCC(C)=CCCC(C)CC(C)=CC(C)=CCO
InChIInChI=1S/C16H28O/c1-13(2)7-6-8-14(3)11-16(5)12-15(4)9-10-17/h7,9,12,14,17H,6,8,10-11H2,1-5H3
InChIKeyXHVSHVDVADUFQC-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol
CID 138375732
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400

Frequently Asked Questions

What is the IUPAC name of 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol?
The IUPAC name of 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol (CID 54470288) is 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol.
What is the SMILES notation for 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol?
The canonical SMILES for 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol is CC(C)=CCCC(C)CC(C)=CC(C)=CCO.
What is the InChIKey of 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol?
The InChIKey is XHVSHVDVADUFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-13(2)7-6-8-14(3)11-16(5)12-15(4)9-10-17/h7,9,12,14,17H,6,8,10-11H2,1-5H3.
What are the key properties of 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol?
3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,11-tetramethyldodeca-2,4,10-trien-1-ol is sourced from PubChem (CID 54470288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).