1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol

C12H16O2 — CID 14142136

IUPAC1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)C=CC(O)(c2ccco2)CC1
InChIInChI=1S/C12H16O2/c1-11(2)5-7-12(13,8-6-11)10-4-3-9-14-10/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyCIUSWNPTMGNKIC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.84
Rot. Bonds1

About 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol

1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol (PubChem CID 14142136) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol
PubChem CID14142136
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)C=CC(O)(c2ccco2)CC1
InChIInChI=1S/C12H16O2/c1-11(2)5-7-12(13,8-6-11)10-4-3-9-14-10/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyCIUSWNPTMGNKIC-UHFFFAOYSA-N
XLogP2.84
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.84
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 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol (CID 14142136) is 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol is CC1(C)C=CC(O)(c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol?
The InChIKey is CIUSWNPTMGNKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(2)5-7-12(13,8-6-11)10-4-3-9-14-10/h3-5,7,9,13H,6,8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol?
1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4,4-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 14142136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).