3-(2,2,6-trimethylcyclohexyl)hexan-3-ol

C15H30O — CID 141103518

IUPAC3-(2,2,6-trimethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)(CC)C1C(C)CCCC1(C)C
InChIInChI=1S/C15H30O/c1-6-10-15(16,7-2)13-12(3)9-8-11-14(13,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyKAHXWLGDCWZBLF-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds4

About 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol

3-(2,2,6-trimethylcyclohexyl)hexan-3-ol (PubChem CID 141103518) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol.

Molecular Properties

Compound Name3-(2,2,6-trimethylcyclohexyl)hexan-3-ol
PubChem CID141103518
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3-(2,2,6-trimethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)(CC)C1C(C)CCCC1(C)C
InChIInChI=1S/C15H30O/c1-6-10-15(16,7-2)13-12(3)9-8-11-14(13,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyKAHXWLGDCWZBLF-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol?
The IUPAC name of 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol (CID 141103518) is 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol.
What is the SMILES notation for 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol?
The canonical SMILES for 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol is CCCC(O)(CC)C1C(C)CCCC1(C)C.
What is the InChIKey of 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol?
The InChIKey is KAHXWLGDCWZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-6-10-15(16,7-2)13-12(3)9-8-11-14(13,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol?
3-(2,2,6-trimethylcyclohexyl)hexan-3-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6-trimethylcyclohexyl)hexan-3-ol is sourced from PubChem (CID 141103518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).