8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran

C15H16O — CID 126702391

IUPAC8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran
SMILESCC1(C)C=CC2=C(C=C1)C1=CC=CCC1O2
InChIInChI=1S/C15H16O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-5,7-10,13H,6H2,1-2H3
InChIKeyCWAVRMQIMJJIDK-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.68
Rot. Bonds

About 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran

8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran (PubChem CID 126702391) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran
PubChem CID126702391
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran
SMILESCC1(C)C=CC2=C(C=C1)C1=CC=CCC1O2
InChIInChI=1S/C15H16O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-5,7-10,13H,6H2,1-2H3
InChIKeyCWAVRMQIMJJIDK-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran?
The IUPAC name of 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran (CID 126702391) is 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran.
What is the SMILES notation for 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran?
The canonical SMILES for 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran is CC1(C)C=CC2=C(C=C1)C1=CC=CCC1O2.
What is the InChIKey of 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran?
The InChIKey is CWAVRMQIMJJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-15(2)9-7-12-11-5-3-4-6-13(11)16-14(12)8-10-15/h3-5,7-10,13H,6H2,1-2H3.
What are the key properties of 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran?
8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran has a molecular weight of 212.29 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran is sourced from PubChem (CID 126702391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).