(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

C9H12O2 — CID 11194435

IUPAC(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C=C1CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C9H12O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h8-9H,1,3-6H2/t8-,9+/m1/s1
InChIKeyYIVZHVZAVBUKKA-BDAKNGLRSA-N
MW152.19 g/mol
LogP1.48
Rot. Bonds

About (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 11194435) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID11194435
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C=C1CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C9H12O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h8-9H,1,3-6H2/t8-,9+/m1/s1
InChIKeyYIVZHVZAVBUKKA-BDAKNGLRSA-N
XLogP1.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 11194435) is (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C=C=C1CO[C@@H]2OCCC[C@H]12.
What is the InChIKey of (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is YIVZHVZAVBUKKA-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h8-9H,1,3-6H2/t8-,9+/m1/s1.
What are the key properties of (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 152.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 11194435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).