1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol

C11H18O2 — CID 130579059

IUPAC1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(C2=COCC2)C1
InChIInChI=1S/C11H18O2/c1-10(2)4-5-11(12,8-10)9-3-6-13-7-9/h7,12H,3-6,8H2,1-2H3
InChIKeyHLLWBMHDTXUFAA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds1

About 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol

1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 130579059) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol
PubChem CID130579059
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(C2=COCC2)C1
InChIInChI=1S/C11H18O2/c1-10(2)4-5-11(12,8-10)9-3-6-13-7-9/h7,12H,3-6,8H2,1-2H3
InChIKeyHLLWBMHDTXUFAA-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol (CID 130579059) is 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(C2=COCC2)C1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is HLLWBMHDTXUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)4-5-11(12,8-10)9-3-6-13-7-9/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol?
1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130579059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).