(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan

C10H10O — CID 134964930

IUPAC(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan
SMILESC1=CC2=C[C@@H]3OCC[C@@H]3C2=C1
InChIInChI=1S/C10H10O/c1-2-7-6-10-9(4-5-11-10)8(7)3-1/h1-3,6,9-10H,4-5H2/t9-,10+/m1/s1
InChIKeyIANFXKSOKVDVLQ-ZJUUUORDSA-N
MW146.19 g/mol
LogP1.83
Rot. Bonds

About (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan

(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan (PubChem CID 134964930) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan.

Molecular Properties

Compound Name(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan
PubChem CID134964930
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan
SMILESC1=CC2=C[C@@H]3OCC[C@@H]3C2=C1
InChIInChI=1S/C10H10O/c1-2-7-6-10-9(4-5-11-10)8(7)3-1/h1-3,6,9-10H,4-5H2/t9-,10+/m1/s1
InChIKeyIANFXKSOKVDVLQ-ZJUUUORDSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan?
The IUPAC name of (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan (CID 134964930) is (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan.
What is the SMILES notation for (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan?
The canonical SMILES for (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan is C1=CC2=C[C@@H]3OCC[C@@H]3C2=C1.
What is the InChIKey of (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan?
The InChIKey is IANFXKSOKVDVLQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H10O/c1-2-7-6-10-9(4-5-11-10)8(7)3-1/h1-3,6,9-10H,4-5H2/t9-,10+/m1/s1.
What are the key properties of (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan?
(3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan has a molecular weight of 146.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2,3,3a,7a-tetrahydropentaleno[2,1-b]furan is sourced from PubChem (CID 134964930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).