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

C10H14O2 — CID 11126640

IUPAC(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C/C=C1/CO[C@H]2OCCC[C@@H]12
InChIInChI=1S/C10H14O2/c1-2-4-8-7-12-10-9(8)5-3-6-11-10/h2,4,9-10H,1,3,5-7H2/b8-4-/t9-,10+/m0/s1
InChIKeyOOLQQZJOQKDJGT-YXCTTXFESA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds1

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

(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 11126640) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID11126640
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C/C=C1/CO[C@H]2OCCC[C@@H]12
InChIInChI=1S/C10H14O2/c1-2-4-8-7-12-10-9(8)5-3-6-11-10/h2,4,9-10H,1,3,5-7H2/b8-4-/t9-,10+/m0/s1
InChIKeyOOLQQZJOQKDJGT-YXCTTXFESA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 11126640) is (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C=C/C=C1/CO[C@H]2OCCC[C@@H]12.
What is the InChIKey of (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is OOLQQZJOQKDJGT-YXCTTXFESA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-8-7-12-10-9(8)5-3-6-11-10/h2,4,9-10H,1,3,5-7H2/b8-4-/t9-,10+/m0/s1.
What are the key properties of (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 166.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 11126640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).