2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan

C15H22O — CID 71203300

IUPAC2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan
SMILESCC1=C(C)C2OC(C)=C(C)C2C(C)=C(C)C1
InChIInChI=1S/C15H22O/c1-8-7-9(2)11(4)15-14(10(8)3)12(5)13(6)16-15/h14-15H,7H2,1-6H3
InChIKeyFYOUDXSYCFVSJP-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.37
Rot. Bonds

About 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan

2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan (PubChem CID 71203300) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan.

Molecular Properties

Compound Name2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan
PubChem CID71203300
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan
SMILESCC1=C(C)C2OC(C)=C(C)C2C(C)=C(C)C1
InChIInChI=1S/C15H22O/c1-8-7-9(2)11(4)15-14(10(8)3)12(5)13(6)16-15/h14-15H,7H2,1-6H3
InChIKeyFYOUDXSYCFVSJP-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The IUPAC name of 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan (CID 71203300) is 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan.
What is the SMILES notation for 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The canonical SMILES for 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan is CC1=C(C)C2OC(C)=C(C)C2C(C)=C(C)C1.
What is the InChIKey of 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The InChIKey is FYOUDXSYCFVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-8-7-9(2)11(4)15-14(10(8)3)12(5)13(6)16-15/h14-15H,7H2,1-6H3.
What are the key properties of 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan has a molecular weight of 218.34 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan is sourced from PubChem (CID 71203300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).