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

C14H24O2 — CID 24975354

IUPAC(3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCCCCCC/C=C1/COC2OCCCC12
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-8-12-11-16-14-13(12)9-7-10-15-14/h8,13-14H,2-7,9-11H2,1H3/b12-8-
InChIKeyCNJPZECWXSVBKN-WQLSENKSSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds5

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

(3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 24975354) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID24975354
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCCCCCC/C=C1/COC2OCCCC12
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-8-12-11-16-14-13(12)9-7-10-15-14/h8,13-14H,2-7,9-11H2,1H3/b12-8-
InChIKeyCNJPZECWXSVBKN-WQLSENKSSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 24975354) is (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is CCCCCC/C=C1/COC2OCCCC12.
What is the InChIKey of (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is CNJPZECWXSVBKN-WQLSENKSSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-8-12-11-16-14-13(12)9-7-10-15-14/h8,13-14H,2-7,9-11H2,1H3/b12-8-.
What are the key properties of (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 224.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-heptylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 24975354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).