1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol

C11H22O2 — CID 118424353

IUPAC1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
SMILESCC(C)C1CCC(C(C)(O)O)CC1
InChIInChI=1S/C11H22O2/c1-8(2)9-4-6-10(7-5-9)11(3,12)13/h8-10,12-13H,4-7H2,1-3H3
InChIKeyQLTFYYVALUWIFQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol

1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol (PubChem CID 118424353) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
PubChem CID118424353
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
SMILESCC(C)C1CCC(C(C)(O)O)CC1
InChIInChI=1S/C11H22O2/c1-8(2)9-4-6-10(7-5-9)11(3,12)13/h8-10,12-13H,4-7H2,1-3H3
InChIKeyQLTFYYVALUWIFQ-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-cyclooctylethane-1,1-diol
CID 22410754
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
4-propan-2-ylcyclohexan-1-ol
CID 159817143
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
1-(4-ethynylcyclohexyl)ethane-1,1-diol
CID 174392654
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
2-cyclopropyl-3,4-dimethylpentan-2-ol
CID 130647257
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane
CID 159993234
1-propan-2-yl-4-(triethoxymethyl)cyclohexane
CID 65400961

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol (CID 118424353) is 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol is CC(C)C1CCC(C(C)(O)O)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol?
The InChIKey is QLTFYYVALUWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)9-4-6-10(7-5-9)11(3,12)13/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol?
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol has a molecular weight of 186.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol is sourced from PubChem (CID 118424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).