(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran

C11H10O — CID 162854164

IUPAC(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran
SMILESCC#CC#C/C=C/[C@H]1CC=CO1
InChIInChI=1S/C11H10O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6-8,10-11H,9H2,1H3/b8-6+/t11-/m0/s1
InChIKeyJTOVZYFJKXWWEJ-IOCXFXADSA-N
MW158.20 g/mol
LogP1.87
Rot. Bonds1

About (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran

(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran (PubChem CID 162854164) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran.

Molecular Properties

Compound Name(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran
PubChem CID162854164
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran
SMILESCC#CC#C/C=C/[C@H]1CC=CO1
InChIInChI=1S/C11H10O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6-8,10-11H,9H2,1H3/b8-6+/t11-/m0/s1
InChIKeyJTOVZYFJKXWWEJ-IOCXFXADSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran?
The IUPAC name of (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran (CID 162854164) is (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran.
What is the SMILES notation for (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran?
The canonical SMILES for (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran is CC#CC#C/C=C/[C@H]1CC=CO1.
What is the InChIKey of (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran?
The InChIKey is JTOVZYFJKXWWEJ-IOCXFXADSA-N. The full InChI is InChI=1S/C11H10O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6-8,10-11H,9H2,1H3/b8-6+/t11-/m0/s1.
What are the key properties of (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran?
(2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran has a molecular weight of 158.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-hept-1-en-3,5-diynyl]-2,3-dihydrofuran is sourced from PubChem (CID 162854164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).