(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran

C10H14O — CID 101068447

IUPAC(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran
SMILESC/C=C1\CO[C@@H]2CCC=C[C@H]12
InChIInChI=1S/C10H14O/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-3,5,9-10H,4,6-7H2,1H3/b8-2+/t9-,10-/m1/s1
InChIKeyULIZQVDOMDKBBJ-DLCFDYCTSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds

About (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran

(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran (PubChem CID 101068447) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran
PubChem CID101068447
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran
SMILESC/C=C1\CO[C@@H]2CCC=C[C@H]12
InChIInChI=1S/C10H14O/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-3,5,9-10H,4,6-7H2,1H3/b8-2+/t9-,10-/m1/s1
InChIKeyULIZQVDOMDKBBJ-DLCFDYCTSA-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 (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran?
The IUPAC name of (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran (CID 101068447) is (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran.
What is the SMILES notation for (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran?
The canonical SMILES for (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran is C/C=C1\CO[C@@H]2CCC=C[C@H]12.
What is the InChIKey of (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran?
The InChIKey is ULIZQVDOMDKBBJ-DLCFDYCTSA-N. The full InChI is InChI=1S/C10H14O/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-3,5,9-10H,4,6-7H2,1H3/b8-2+/t9-,10-/m1/s1.
What are the key properties of (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran?
(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-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 (3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran is sourced from PubChem (CID 101068447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).