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

C13H22O2 — CID 11106640

IUPAC(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCCCCC/C=C1/COC2OCCCC12
InChIInChI=1S/C13H22O2/c1-2-3-4-5-7-11-10-15-13-12(11)8-6-9-14-13/h7,12-13H,2-6,8-10H2,1H3/b11-7-
InChIKeyUVBHCCAMVDKCJK-XFFZJAGNSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

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

(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 11106640) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID11106640
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCCCCC/C=C1/COC2OCCCC12
InChIInChI=1S/C13H22O2/c1-2-3-4-5-7-11-10-15-13-12(11)8-6-9-14-13/h7,12-13H,2-6,8-10H2,1H3/b11-7-
InChIKeyUVBHCCAMVDKCJK-XFFZJAGNSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 11106640) is (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is CCCCC/C=C1/COC2OCCCC12.
What is the InChIKey of (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is UVBHCCAMVDKCJK-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-7-11-10-15-13-12(11)8-6-9-14-13/h7,12-13H,2-6,8-10H2,1H3/b11-7-.
What are the key properties of (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 210.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 11106640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).