2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol

C17H32O2 — CID 147660254

IUPAC2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol
SMILESCC1CC(C)C(OC2CC(C)C(O)C(C)C2)C(C)C1
InChIInChI=1S/C17H32O2/c1-10-6-13(4)17(14(5)7-10)19-15-8-11(2)16(18)12(3)9-15/h10-18H,6-9H2,1-5H3
InChIKeyGYPJIJNKUQAKBJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.87
Rot. Bonds2

About 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol

2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol (PubChem CID 147660254) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol
PubChem CID147660254
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol
SMILESCC1CC(C)C(OC2CC(C)C(O)C(C)C2)C(C)C1
InChIInChI=1S/C17H32O2/c1-10-6-13(4)17(14(5)7-10)19-15-8-11(2)16(18)12(3)9-15/h10-18H,6-9H2,1-5H3
InChIKeyGYPJIJNKUQAKBJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol?
The IUPAC name of 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol (CID 147660254) is 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol.
What is the SMILES notation for 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol?
The canonical SMILES for 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol is CC1CC(C)C(OC2CC(C)C(O)C(C)C2)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol?
The InChIKey is GYPJIJNKUQAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-10-6-13(4)17(14(5)7-10)19-15-8-11(2)16(18)12(3)9-15/h10-18H,6-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol?
2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol is sourced from PubChem (CID 147660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).