1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol

C12H18O2 — CID 83173185

IUPAC1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccoc2)C1
InChIInChI=1S/C12H18O2/c1-11(2)4-5-12(13,9-11)7-10-3-6-14-8-10/h3,6,8,13H,4-5,7,9H2,1-2H3
InChIKeyRPZLKPHJTDWFHE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.76
Rot. Bonds2

About 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol

1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 83173185) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
PubChem CID83173185
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccoc2)C1
InChIInChI=1S/C12H18O2/c1-11(2)4-5-12(13,9-11)7-10-3-6-14-8-10/h3,6,8,13H,4-5,7,9H2,1-2H3
InChIKeyRPZLKPHJTDWFHE-UHFFFAOYSA-N
XLogP2.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol (CID 83173185) is 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(Cc2ccoc2)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is RPZLKPHJTDWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2)4-5-12(13,9-11)7-10-3-6-14-8-10/h3,6,8,13H,4-5,7,9H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol?
1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 83173185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).