4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol

C13H26O2 — CID 20821698

IUPAC4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
SMILESCOC1C(C)C(C)(C)C(O)C(C)(C)C1C
InChIInChI=1S/C13H26O2/c1-8-10(15-7)9(2)13(5,6)11(14)12(8,3)4/h8-11,14H,1-7H3
InChIKeyYYOXFZDUWAGOQB-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.70
Rot. Bonds1

About 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol

4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol (PubChem CID 20821698) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
PubChem CID20821698
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
SMILESCOC1C(C)C(C)(C)C(O)C(C)(C)C1C
InChIInChI=1S/C13H26O2/c1-8-10(15-7)9(2)13(5,6)11(14)12(8,3)4/h8-11,14H,1-7H3
InChIKeyYYOXFZDUWAGOQB-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol?
The IUPAC name of 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol (CID 20821698) is 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol?
The canonical SMILES for 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol is COC1C(C)C(C)(C)C(O)C(C)(C)C1C.
What is the InChIKey of 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol?
The InChIKey is YYOXFZDUWAGOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-8-10(15-7)9(2)13(5,6)11(14)12(8,3)4/h8-11,14H,1-7H3.
What are the key properties of 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol?
4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol is sourced from PubChem (CID 20821698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).