1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol

C13H22O2 — CID 102650650

IUPAC1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2=CCCO2)CC1
InChIInChI=1S/C13H22O2/c1-12(2)6-4-7-13(14,9-8-12)11-5-3-10-15-11/h5,14H,3-4,6-10H2,1-2H3
InChIKeyMIDBNBXPPBSADM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.01
Rot. Bonds1

About 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol

1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 102650650) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol
PubChem CID102650650
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2=CCCO2)CC1
InChIInChI=1S/C13H22O2/c1-12(2)6-4-7-13(14,9-8-12)11-5-3-10-15-11/h5,14H,3-4,6-10H2,1-2H3
InChIKeyMIDBNBXPPBSADM-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol (CID 102650650) is 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol is CC1(C)CCCC(O)(C2=CCCO2)CC1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is MIDBNBXPPBSADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(2)6-4-7-13(14,9-8-12)11-5-3-10-15-11/h5,14H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol?
1-(2,3-dihydrofuran-5-yl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 3.01, 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-5-yl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 102650650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).