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

C9H14O2 — CID 101228533

IUPAC(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC/C=C1/CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C9H14O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h2,8-9H,3-6H2,1H3/b7-2-/t8-,9+/m1/s1
InChIKeyMOEOGYKCDMCCRS-BSZQFVRZSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds

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

(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 101228533) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID101228533
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESC/C=C1/CO[C@@H]2OCCC[C@H]12
InChIInChI=1S/C9H14O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h2,8-9H,3-6H2,1H3/b7-2-/t8-,9+/m1/s1
InChIKeyMOEOGYKCDMCCRS-BSZQFVRZSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran with MolForge

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Related Compounds

(1E,4R,7R,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-enyl)-3,5-dioxatricyclo[6.6.1.04,15]pentadeca-1(14),11-diene
CID 101617774
(1E,2R,4R,7S,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-enyl)-3,5-dioxatricyclo[6.6.1.04,15]pentadeca-1(14),11-diene
CID 162896263
(4R,7R,8S,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-enyl)-3,5-dioxatricyclo[6.6.1.04,15]pentadeca-1(14),11-diene
CID 163188203
rac-(3Z,3aR,7aS)-3-(iodomethylidene)-hexahydro-2H-furo[2,3-b]pyran
CID 11086688
3-methylenehexahydro-4H-furo[2,3-b]pyran
CID 11815452
(3aR,7aS)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 13775279
(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 162400652
(3Z)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 176431596
(1E,4S,7S,8R,11E,15R)-2-methoxy-11-methyl-7-(4-methylpent-3-enyl)-3,5-dioxatricyclo[6.6.1.04,15]pentadeca-1(14),11-diene
CID 101617773
2-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 56998353
(1R,7S,11S)-8-methyl-2,10-dioxatricyclo[5.3.1.04,11]undeca-4,8-diene
CID 68015362
2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane
CID 139632039

Frequently Asked Questions

What is the IUPAC name of (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 101228533) is (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is C/C=C1/CO[C@@H]2OCCC[C@H]12.
What is the InChIKey of (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is MOEOGYKCDMCCRS-BSZQFVRZSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h2,8-9H,3-6H2,1H3/b7-2-/t8-,9+/m1/s1.
What are the key properties of (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 154.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 101228533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).