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

C10H14O — CID 123294094

IUPAC2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
SMILESC=C1CCCC2OC(C)=CC12
InChIInChI=1S/C10H14O/c1-7-4-3-5-10-9(7)6-8(2)11-10/h6,9-10H,1,3-5H2,2H3
InChIKeyPZEIQKWSJZZLJN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds

About 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran

2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran (PubChem CID 123294094) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran.

Molecular Properties

Compound Name2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
PubChem CID123294094
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran
SMILESC=C1CCCC2OC(C)=CC12
InChIInChI=1S/C10H14O/c1-7-4-3-5-10-9(7)6-8(2)11-10/h6,9-10H,1,3-5H2,2H3
InChIKeyPZEIQKWSJZZLJN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The IUPAC name of 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran (CID 123294094) is 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran.
What is the SMILES notation for 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The canonical SMILES for 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran is C=C1CCCC2OC(C)=CC12.
What is the InChIKey of 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
The InChIKey is PZEIQKWSJZZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-4-3-5-10-9(7)6-8(2)11-10/h6,9-10H,1,3-5H2,2H3.
What are the key properties of 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran?
2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1-benzofuran is sourced from PubChem (CID 123294094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).