1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol

C16H32O — CID 22326187

IUPAC1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)CCC1C(C)CCC(C)C1(C)C
InChIInChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyZXEXKFFXTYZXJT-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.64
Rot. Bonds5

About 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol

1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol (PubChem CID 22326187) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol.

Molecular Properties

Compound Name1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol
PubChem CID22326187
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)CCC1C(C)CCC(C)C1(C)C
InChIInChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyZXEXKFFXTYZXJT-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol?
The IUPAC name of 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol (CID 22326187) is 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol.
What is the SMILES notation for 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol?
The canonical SMILES for 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol is CCCC(O)CCC1C(C)CCC(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol?
The InChIKey is ZXEXKFFXTYZXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol?
1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol has a molecular weight of 240.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol is sourced from PubChem (CID 22326187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).