(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran

C10H12O2 — CID 166441839

IUPAC(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C[C@H]2COCC2=C2COC[C@@H]12
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-8H,3-6H2/t7-,8+
InChIKeyYDGWYPJQCSRPHF-OCAPTIKFSA-N
MW164.20 g/mol
LogP1.15
Rot. Bonds

About (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran

(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (PubChem CID 166441839) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
PubChem CID166441839
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C[C@H]2COCC2=C2COC[C@@H]12
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-8H,3-6H2/t7-,8+
InChIKeyYDGWYPJQCSRPHF-OCAPTIKFSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4a,5,7,7a-Hexahydrofuro[3,4-f][2]benzofuran
CID 10702165
(3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 10725397
3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 11116125
6-Methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 23624501
(3aS,6R)-7-ethyl-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 100935807
1,3,5,5a,6,8-Hexahydrofuro[3,4-e][2]benzofuran
CID 102285341
(3Z)-3-ethylidene-4-[(E)-prop-1-enyl]oxolane
CID 134931636
1,3,3a,6-Tetrahydro-2-benzofuran
CID 90881271
(5-Methyl-1,3,5,7a-tetrahydro-2-benzofuran-4-yl)boronic acid
CID 166560920
(3aS)-7-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-1,3,3a,6-tetrahydro-2-benzofuran
CID 10753702
(4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
CID 11355588
(3aR,6S)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 12159803

Frequently Asked Questions

What is the IUPAC name of (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (CID 166441839) is (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is C1=C[C@H]2COCC2=C2COC[C@@H]12.
What is the InChIKey of (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The InChIKey is YDGWYPJQCSRPHF-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-8H,3-6H2/t7-,8+.
What are the key properties of (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran has a molecular weight of 164.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 166441839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).