6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan

C11H16O — CID 142104681

IUPAC6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan
SMILESCC1(C)C=CC2=C(CCO2)CC1
InChIInChI=1S/C11H16O/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBFGZIERIQZEGBV-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.04
Rot. Bonds

About 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan

6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan (PubChem CID 142104681) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan.

Molecular Properties

Compound Name6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan
PubChem CID142104681
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan
SMILESCC1(C)C=CC2=C(CCO2)CC1
InChIInChI=1S/C11H16O/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBFGZIERIQZEGBV-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan?
The IUPAC name of 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan (CID 142104681) is 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan.
What is the SMILES notation for 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan?
The canonical SMILES for 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan is CC1(C)C=CC2=C(CCO2)CC1.
What is the InChIKey of 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan?
The InChIKey is BFGZIERIQZEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2)6-3-9-5-8-12-10(9)4-7-11/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan?
6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan has a molecular weight of 164.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,3,4,5-tetrahydrocyclohepta[b]furan is sourced from PubChem (CID 142104681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).