4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol

C17H33NO2 — CID 62974563

IUPAC4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N2CCCOC(C)C2)C1
InChIInChI=1S/C17H33NO2/c1-5-17(3,4)14-7-8-16(19)15(11-14)18-9-6-10-20-13(2)12-18/h13-16,19H,5-12H2,1-4H3
InChIKeyGJNMAXIYZKLBIP-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol

4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol (PubChem CID 62974563) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
PubChem CID62974563
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(N2CCCOC(C)C2)C1
InChIInChI=1S/C17H33NO2/c1-5-17(3,4)14-7-8-16(19)15(11-14)18-9-6-10-20-13(2)12-18/h13-16,19H,5-12H2,1-4H3
InChIKeyGJNMAXIYZKLBIP-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol (CID 62974563) is 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(N2CCCOC(C)C2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol?
The InChIKey is GJNMAXIYZKLBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-17(3,4)14-7-8-16(19)15(11-14)18-9-6-10-20-13(2)12-18/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 62974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).