3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol

C12H22O2 — CID 80698554

IUPAC3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
SMILESCC1(C)CCC(O)(C2CCOCC2)C1
InChIInChI=1S/C12H22O2/c1-11(2)5-6-12(13,9-11)10-3-7-14-8-4-10/h10,13H,3-9H2,1-2H3
InChIKeyVQAHHGPDQFZHLT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds1

About 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol

3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol (PubChem CID 80698554) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
PubChem CID80698554
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
SMILESCC1(C)CCC(O)(C2CCOCC2)C1
InChIInChI=1S/C12H22O2/c1-11(2)5-6-12(13,9-11)10-3-7-14-8-4-10/h10,13H,3-9H2,1-2H3
InChIKeyVQAHHGPDQFZHLT-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol (CID 80698554) is 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol is CC1(C)CCC(O)(C2CCOCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol?
The InChIKey is VQAHHGPDQFZHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)5-6-12(13,9-11)10-3-7-14-8-4-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol?
3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 80698554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).