5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol

C12H20O2 — CID 65177148

IUPAC5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(C2CCOC2)=CC(O)C1
InChIInChI=1S/C12H20O2/c1-12(2)6-10(5-11(13)7-12)9-3-4-14-8-9/h5,9,11,13H,3-4,6-8H2,1-2H3
InChIKeyZOTOSCBONAKUOH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.13
Rot. Bonds1

About 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol (PubChem CID 65177148) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol
PubChem CID65177148
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol
SMILESCC1(C)CC(C2CCOC2)=CC(O)C1
InChIInChI=1S/C12H20O2/c1-12(2)6-10(5-11(13)7-12)9-3-4-14-8-9/h5,9,11,13H,3-4,6-8H2,1-2H3
InChIKeyZOTOSCBONAKUOH-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol (CID 65177148) is 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol is CC1(C)CC(C2CCOC2)=CC(O)C1.
What is the InChIKey of 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol?
The InChIKey is ZOTOSCBONAKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2)6-10(5-11(13)7-12)9-3-4-14-8-9/h5,9,11,13H,3-4,6-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(oxolan-3-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65177148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).