2-cyclooctylpropan-2-ol

C11H22O — CID 27966

IUPAC2-cyclooctylpropan-2-ol
SMILESCC(C)(O)C1CCCCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3
InChIKeySSIKICQJPUCGEG-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds1

About 2-cyclooctylpropan-2-ol

2-cyclooctylpropan-2-ol (PubChem CID 27966) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-cyclooctylpropan-2-ol.

Molecular Properties

Compound Name2-cyclooctylpropan-2-ol
PubChem CID27966
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-cyclooctylpropan-2-ol
SMILESCC(C)(O)C1CCCCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3
InChIKeySSIKICQJPUCGEG-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90817555
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CID 114794901
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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctylpropan-2-ol?
The IUPAC name of 2-cyclooctylpropan-2-ol (CID 27966) is 2-cyclooctylpropan-2-ol.
What is the SMILES notation for 2-cyclooctylpropan-2-ol?
The canonical SMILES for 2-cyclooctylpropan-2-ol is CC(C)(O)C1CCCCCCC1.
What is the InChIKey of 2-cyclooctylpropan-2-ol?
The InChIKey is SSIKICQJPUCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-cyclooctylpropan-2-ol?
2-cyclooctylpropan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctylpropan-2-ol is sourced from PubChem (CID 27966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).