3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol

C15H28O — CID 71401589

IUPAC3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol
SMILESCC(C)=CCC(=CCC(C)CCO)C(C)C
InChIInChI=1S/C15H28O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,9,13-14,16H,7-8,10-11H2,1-5H3
InChIKeyCFIYQFQHFHZMPY-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.33
Rot. Bonds7

About 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol

3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol (PubChem CID 71401589) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol.

Molecular Properties

Compound Name3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol
PubChem CID71401589
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol
SMILESCC(C)=CCC(=CCC(C)CCO)C(C)C
InChIInChI=1S/C15H28O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,9,13-14,16H,7-8,10-11H2,1-5H3
InChIKeyCFIYQFQHFHZMPY-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.33
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

[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate
CID 11108311
5,11-dimethyl-8-propan-2-yldodeca-7,10-dienoic acid
CID 91406670
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
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
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
(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
(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
CID 11299561
2,5-dimethylhept-2-ene;ethane
CID 144650208
2,6-dimethyl-5-methylidenehept-2-ene
CID 86124374
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol?
The IUPAC name of 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol (CID 71401589) is 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol.
What is the SMILES notation for 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol?
The canonical SMILES for 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol is CC(C)=CCC(=CCC(C)CCO)C(C)C.
What is the InChIKey of 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol?
The InChIKey is CFIYQFQHFHZMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h6,9,13-14,16H,7-8,10-11H2,1-5H3.
What are the key properties of 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol?
3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6-propan-2-yldeca-5,8-dien-1-ol is sourced from PubChem (CID 71401589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).