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

C8H12O2 — CID 10796831

IUPAC(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1CO[C@H]2OCCC[C@@H]12
InChIInChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2/t7-,8+/m0/s1
InChIKeyJOTUIXLVJRSCJP-JGVFFNPUSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds

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

(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 10796831) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID10796831
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC=C1CO[C@H]2OCCC[C@@H]12
InChIInChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2/t7-,8+/m0/s1
InChIKeyJOTUIXLVJRSCJP-JGVFFNPUSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 10796831) is (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C=C1CO[C@H]2OCCC[C@@H]12.
What is the InChIKey of (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is JOTUIXLVJRSCJP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-10-8-7(6)3-2-4-9-8/h7-8H,1-5H2/t7-,8+/m0/s1.
What are the key properties of (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 140.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 10796831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).