1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol

C12H24O2 — CID 15707233

IUPAC1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)C1(CCO)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)11(14)12(8-9-13)6-4-3-5-7-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyDICRVQXLNNQCDW-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.34
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol

1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol (PubChem CID 15707233) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
PubChem CID15707233
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)C1(CCO)CCCCC1
InChIInChI=1S/C12H24O2/c1-10(2)11(14)12(8-9-13)6-4-3-5-7-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyDICRVQXLNNQCDW-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol (CID 15707233) is 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol is CC(C)C(O)C1(CCO)CCCCC1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol?
The InChIKey is DICRVQXLNNQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)11(14)12(8-9-13)6-4-3-5-7-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol?
1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)cyclohexyl]-2-methylpropan-1-ol is sourced from PubChem (CID 15707233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).