3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]

C14H20O — CID 91005183

IUPAC3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]
SMILESCC1(C)CC2(CC3=C(CCCC=C3)O2)C1
InChIInChI=1S/C14H20O/c1-13(2)9-14(10-13)8-11-6-4-3-5-7-12(11)15-14/h4,6H,3,5,7-10H2,1-2H3
InChIKeyJEXQXNJVNYLYLR-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.96
Rot. Bonds

About 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]

3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] (PubChem CID 91005183) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane].

Molecular Properties

Compound Name3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]
PubChem CID91005183
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]
SMILESCC1(C)CC2(CC3=C(CCCC=C3)O2)C1
InChIInChI=1S/C14H20O/c1-13(2)9-14(10-13)8-11-6-4-3-5-7-12(11)15-14/h4,6H,3,5,7-10H2,1-2H3
InChIKeyJEXQXNJVNYLYLR-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] 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 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]?
The IUPAC name of 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] (CID 91005183) is 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane].
What is the SMILES notation for 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]?
The canonical SMILES for 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] is CC1(C)CC2(CC3=C(CCCC=C3)O2)C1.
What is the InChIKey of 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]?
The InChIKey is JEXQXNJVNYLYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-13(2)9-14(10-13)8-11-6-4-3-5-7-12(11)15-14/h4,6H,3,5,7-10H2,1-2H3.
What are the key properties of 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane]?
3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] has a molecular weight of 204.31 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-dimethylspiro[3,6,7,8-tetrahydrocyclohepta[b]furan-2,1'-cyclobutane] is sourced from PubChem (CID 91005183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).