7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan

C10H12O — CID 91444730

IUPAC7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan
SMILESCC1=CC2OC=CC2C=CC1
InChIInChI=1S/C10H12O/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2,4-7,9-10H,3H2,1H3
InChIKeyXEVMFCYPZRRPJH-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds

About 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan

7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan (PubChem CID 91444730) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan.

Molecular Properties

Compound Name7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan
PubChem CID91444730
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan
SMILESCC1=CC2OC=CC2C=CC1
InChIInChI=1S/C10H12O/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2,4-7,9-10H,3H2,1H3
InChIKeyXEVMFCYPZRRPJH-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol
CID 112712259
5-(2,2-dimethylpropyl)-3a,7a-dihydro-1-benzofuran
CID 167062080
3-methyl-4-methylidenecyclopentene
CID 59941732
3a,6a-dihydrofuro[2,3-b]furan
CID 123720503
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The IUPAC name of 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan (CID 91444730) is 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan.
What is the SMILES notation for 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The canonical SMILES for 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan is CC1=CC2OC=CC2C=CC1.
What is the InChIKey of 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
The InChIKey is XEVMFCYPZRRPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2,4-7,9-10H,3H2,1H3.
What are the key properties of 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan?
7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan has a molecular weight of 148.20 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,8a-dihydro-3aH-cyclohepta[b]furan is sourced from PubChem (CID 91444730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).