4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol

C13H26O2 — CID 67843504

IUPAC4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
SMILESCOC(C)(C)CC1CC(C)C(O)C(C)C1
InChIInChI=1S/C13H26O2/c1-9-6-11(7-10(2)12(9)14)8-13(3,4)15-5/h9-12,14H,6-8H2,1-5H3
InChIKeyZDKWPFASGSEMLS-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol

4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol (PubChem CID 67843504) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
PubChem CID67843504
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol
SMILESCOC(C)(C)CC1CC(C)C(O)C(C)C1
InChIInChI=1S/C13H26O2/c1-9-6-11(7-10(2)12(9)14)8-13(3,4)15-5/h9-12,14H,6-8H2,1-5H3
InChIKeyZDKWPFASGSEMLS-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol (CID 67843504) is 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol is COC(C)(C)CC1CC(C)C(O)C(C)C1.
What is the InChIKey of 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol?
The InChIKey is ZDKWPFASGSEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-9-6-11(7-10(2)12(9)14)8-13(3,4)15-5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol?
4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropyl)-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 67843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).