4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol

C12H24O2 — CID 131698481

IUPAC4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(C)C1CCO
InChIInChI=1S/C12H24O2/c1-11(2)7-9(14)8-12(3,4)10(11)5-6-13/h9-10,13-14H,5-8H2,1-4H3
InChIKeyPISQKUUGLNKFKD-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds2

About 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol

4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 131698481) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID131698481
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(C)C1CCO
InChIInChI=1S/C12H24O2/c1-11(2)7-9(14)8-12(3,4)10(11)5-6-13/h9-10,13-14H,5-8H2,1-4H3
InChIKeyPISQKUUGLNKFKD-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol (CID 131698481) is 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(O)CC(C)(C)C1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is PISQKUUGLNKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2)7-9(14)8-12(3,4)10(11)5-6-13/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 131698481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).