nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol

C24H44O2 — CID 174923071

IUPACnona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)CCO.CCC=CCCC=CCO
InChIInChI=1S/C15H28O.C9H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-2-3-4-5-6-7-8-9-10/h7,9,15-16H,5-6,8,10-12H2,1-4H3;3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyVBJLCDSGELFYAM-UHFFFAOYSA-N
MW364.61 g/mol
LogP6.76
Rot. Bonds13

About nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol

nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol (PubChem CID 174923071) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol.

Molecular Properties

Compound Namenona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
PubChem CID174923071
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Namenona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)CCO.CCC=CCCC=CCO
InChIInChI=1S/C15H28O.C9H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-2-3-4-5-6-7-8-9-10/h7,9,15-16H,5-6,8,10-12H2,1-4H3;3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyVBJLCDSGELFYAM-UHFFFAOYSA-N
XLogP6.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.76
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'}

Analyze nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol with MolForge

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Related Compounds

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
(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-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
(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
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
methanol;3,7,11-trimethyldodecan-1-ol;(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 162032008
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol
CID 174923179
acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
CID 174503934

Frequently Asked Questions

What is the IUPAC name of nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The IUPAC name of nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol (CID 174923071) is nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol.
What is the SMILES notation for nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The canonical SMILES for nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol is CC(C)=CCCC(C)=CCCC(C)CCO.CCC=CCCC=CCO.
What is the InChIKey of nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
The InChIKey is VBJLCDSGELFYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O.C9H16O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-2-3-4-5-6-7-8-9-10/h7,9,15-16H,5-6,8,10-12H2,1-4H3;3-4,7-8,10H,2,5-6,9H2,1H3.
What are the key properties of nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol?
nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol has a molecular weight of 364.61 g/mol, XLogP of 6.76, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,6-dien-1-ol;3,7,11-trimethyldodeca-6,10-dien-1-ol is sourced from PubChem (CID 174923071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).