1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol

C15H30O2 — CID 57000384

IUPAC1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
SMILESCCCC(O)CC(O)C1C(C)CCCC1(C)C
InChIInChI=1S/C15H30O2/c1-5-7-12(16)10-13(17)14-11(2)8-6-9-15(14,3)4/h11-14,16-17H,5-10H2,1-4H3
InChIKeyOBWRNBVMFSESKV-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.36
Rot. Bonds5

About 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol

1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol (PubChem CID 57000384) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol.

Molecular Properties

Compound Name1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
PubChem CID57000384
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol
SMILESCCCC(O)CC(O)C1C(C)CCCC1(C)C
InChIInChI=1S/C15H30O2/c1-5-7-12(16)10-13(17)14-11(2)8-6-9-15(14,3)4/h11-14,16-17H,5-10H2,1-4H3
InChIKeyOBWRNBVMFSESKV-UHFFFAOYSA-N
XLogP3.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S)-1-(benzenesulfonyl)-1-(2,2,6-trimethylcyclohexyl)hexan-3-ol
CID 70302201
(E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]hex-1-en-3-ol
CID 100994449
2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
(Z)-1-(2,2,6-trimethylcyclohexyl)but-2-en-1-ol
CID 70601692
1-[(1S)-2,2,6-trimethylcyclohexyl]heptan-3-ol;1-(2,2,6-trimethylcyclohexyl)heptan-3-ol
CID 157202478
trans-(1R,2S)-2-tert-butylcyclohexan-1-ol;1-(2,2,6-trimethylcyclohexyl)hexan-3-ol
CID 118982407
1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
CID 111841149
(1R)-2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71116930
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71582376
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117110

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol?
The IUPAC name of 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol (CID 57000384) is 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol.
What is the SMILES notation for 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol?
The canonical SMILES for 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol is CCCC(O)CC(O)C1C(C)CCCC1(C)C.
What is the InChIKey of 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol?
The InChIKey is OBWRNBVMFSESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-7-12(16)10-13(17)14-11(2)8-6-9-15(14,3)4/h11-14,16-17H,5-10H2,1-4H3.
What are the key properties of 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol?
1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol has a molecular weight of 242.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6-trimethylcyclohexyl)hexane-1,3-diol is sourced from PubChem (CID 57000384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).