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

C10H14O — CID 162908127

IUPAC(3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESC=C1CO[C@@H]2C=C(C)CC[C@H]12
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,9-10H,2-4,6H2,1H3/t9-,10-/m1/s1
InChIKeyFQRAKZWEBJPGTM-NXEZZACHSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

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

(3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran (PubChem CID 162908127) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name(3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
PubChem CID162908127
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
SMILESC=C1CO[C@@H]2C=C(C)CC[C@H]12
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,9-10H,2-4,6H2,1H3/t9-,10-/m1/s1
InChIKeyFQRAKZWEBJPGTM-NXEZZACHSA-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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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The IUPAC name of (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran (CID 162908127) is (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The canonical SMILES for (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran is C=C1CO[C@@H]2C=C(C)CC[C@H]12.
What is the InChIKey of (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
The InChIKey is FQRAKZWEBJPGTM-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran?
(3aR,7aR)-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 (3aR,7aR)-6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 162908127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).