4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol

C11H18O3 — CID 130579010

IUPAC4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(C2=COCC2)CCO1
InChIInChI=1S/C11H18O3/c1-10(2)8-11(12,4-6-14-10)9-3-5-13-7-9/h7,12H,3-6,8H2,1-2H3
InChIKeyGAVZQPHHOVUDSB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds1

About 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol

4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol (PubChem CID 130579010) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol
PubChem CID130579010
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(C2=COCC2)CCO1
InChIInChI=1S/C11H18O3/c1-10(2)8-11(12,4-6-14-10)9-3-5-13-7-9/h7,12H,3-6,8H2,1-2H3
InChIKeyGAVZQPHHOVUDSB-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol (CID 130579010) is 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol is CC1(C)CC(O)(C2=COCC2)CCO1.
What is the InChIKey of 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol?
The InChIKey is GAVZQPHHOVUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)8-11(12,4-6-14-10)9-3-5-13-7-9/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol?
4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 130579010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).