6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran

C10H14O — CID 22216621

IUPAC6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESC=C1COC2C=C(C)CCC12
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,9-10H,2-4,6H2,1H3
InChIKeyFQRAKZWEBJPGTM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran

6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran (PubChem CID 22216621) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
PubChem CID22216621
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESC=C1COC2C=C(C)CCC12
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,9-10H,2-4,6H2,1H3
InChIKeyFQRAKZWEBJPGTM-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
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

Rose oxide
CID 27866
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Rose oxide, cis-(-)-
CID 1712087
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
Bisabolene oxide
CID 56842615
Anethofuran
CID 126537
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
Rose oxide, trans-(+)-
CID 1712086
3,9-Epoxy-1-p-menthene
CID 131752931

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The IUPAC name of 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran (CID 22216621) is 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The canonical SMILES for 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran is C=C1COC2C=C(C)CCC12.
What is the InChIKey of 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The InChIKey is FQRAKZWEBJPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,9-10H,2-4,6H2,1H3.
What are the key properties of 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 22216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).