6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol

C16H31NO — CID 113441899

IUPAC6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCCCCN1C1CCCC(C)(C)C1O
InChIInChI=1S/C16H31NO/c1-4-13-9-6-5-7-12-17(13)14-10-8-11-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3
InChIKeyUIAXSKFVQSBIEY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds2

About 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol

6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 113441899) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
PubChem CID113441899
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCCCCN1C1CCCC(C)(C)C1O
InChIInChI=1S/C16H31NO/c1-4-13-9-6-5-7-12-17(13)14-10-8-11-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3
InChIKeyUIAXSKFVQSBIEY-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol (CID 113441899) is 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol is CCC1CCCCCN1C1CCCC(C)(C)C1O.
What is the InChIKey of 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is UIAXSKFVQSBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-9-6-5-7-12-17(13)14-10-8-11-16(2,3)15(14)18/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol?
6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 113441899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).