2,6,8-trimethylnon-1-en-3-ol

C12H24O — CID 170848474

IUPAC2,6,8-trimethylnon-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)CC(C)C
InChIInChI=1S/C12H24O/c1-9(2)8-11(5)6-7-12(13)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyFZGCZEGCRRPQIN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds6

About 2,6,8-trimethylnon-1-en-3-ol

2,6,8-trimethylnon-1-en-3-ol (PubChem CID 170848474) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,6,8-trimethylnon-1-en-3-ol.

Molecular Properties

Compound Name2,6,8-trimethylnon-1-en-3-ol
PubChem CID170848474
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,6,8-trimethylnon-1-en-3-ol
SMILESC=C(C)C(O)CCC(C)CC(C)C
InChIInChI=1S/C12H24O/c1-9(2)8-11(5)6-7-12(13)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyFZGCZEGCRRPQIN-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
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

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
2-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
2,6-Dimethyl-6-hepten-1-ol
CID 169818
Bicyclo(7.2.0)undecan-5-ol, 10,10-dimethyl-2,6-bis(methylene)-
CID 527418
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
(1R,3S,5S,7R)-2,8-dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol
CID 181557
alpha-Caryophylladienol
CID 14524923
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethylnon-1-en-3-ol?
The IUPAC name of 2,6,8-trimethylnon-1-en-3-ol (CID 170848474) is 2,6,8-trimethylnon-1-en-3-ol.
What is the SMILES notation for 2,6,8-trimethylnon-1-en-3-ol?
The canonical SMILES for 2,6,8-trimethylnon-1-en-3-ol is C=C(C)C(O)CCC(C)CC(C)C.
What is the InChIKey of 2,6,8-trimethylnon-1-en-3-ol?
The InChIKey is FZGCZEGCRRPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)8-11(5)6-7-12(13)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3.
What are the key properties of 2,6,8-trimethylnon-1-en-3-ol?
2,6,8-trimethylnon-1-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethylnon-1-en-3-ol is sourced from PubChem (CID 170848474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).