(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran

C10H12O2 — CID 102255092

IUPAC(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran
SMILESC1=C2COCC2=C[C@H]2COC[C@@H]12
InChIInChI=1S/C10H12O2/c1-7-3-11-5-9(7)2-10-6-12-4-8(1)10/h1-2,7,9H,3-6H2/t7-,9+
InChIKeyGYRCBAJBYBFEAW-OTSSQURYSA-N
MW164.20 g/mol
LogP1.15
Rot. Bonds

About (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran

(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran (PubChem CID 102255092) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran.

Molecular Properties

Compound Name(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran
PubChem CID102255092
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran
SMILESC1=C2COCC2=C[C@H]2COC[C@@H]12
InChIInChI=1S/C10H12O2/c1-7-3-11-5-9(7)2-10-6-12-4-8(1)10/h1-2,7,9H,3-6H2/t7-,9+
InChIKeyGYRCBAJBYBFEAW-OTSSQURYSA-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

Analyze (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran with MolForge

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Related Compounds

1,3,4a,5,7,7a-Hexahydrofuro[3,4-f][2]benzofuran
CID 10702165
(5S,5aR)-5-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
CID 25224362
1,3,5,5a,6,8-Hexahydrofuro[3,4-e][2]benzofuran
CID 102285341
(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane
CID 134981554
(1E,3E,8E,10E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,3,8,10-tetraene
CID 139250117
(4Z)-3-methylidene-4-(4-methyloxolan-3-ylidene)oxolane
CID 154722243
(4Z)-3-methylidene-4-[(4S)-4-methyloxolan-3-ylidene]oxolane
CID 154722865
(4Z)-3-methylidene-4-[(4R)-4-methyloxolan-3-ylidene]oxolane
CID 162397201
(3aS,5aR)-1,3,3a,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
CID 166441839
1,3,5,6-Tetrahydro-2-benzofuran
CID 19809571
1,3,3a,6-Tetrahydro-2-benzofuran
CID 90881271
(3aS)-7-[(E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-enyl]-1,3,3a,6-tetrahydro-2-benzofuran
CID 10753702

Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran?
The IUPAC name of (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran (CID 102255092) is (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran.
What is the SMILES notation for (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran?
The canonical SMILES for (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran is C1=C2COCC2=C[C@H]2COC[C@@H]12.
What is the InChIKey of (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran?
The InChIKey is GYRCBAJBYBFEAW-OTSSQURYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-11-5-9(7)2-10-6-12-4-8(1)10/h1-2,7,9H,3-6H2/t7-,9+.
What are the key properties of (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran?
(4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][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 (4aS,7aR)-1,3,4a,5,7,7a-hexahydrofuro[3,4-f][2]benzofuran is sourced from PubChem (CID 102255092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).