(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane

C13H8O — CID 163000767

IUPAC(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane
SMILESCC#CC#CC#CC#C/C=C/[C@@H]1CO1
InChIInChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h10-11,13H,12H2,1H3/b11-10+/t13-/m1/s1
InChIKeyYSBRTMBNHRGHRP-OCHBPSSRSA-N
MW180.21 g/mol
LogP0.97
Rot. Bonds1

About (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane

(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane (PubChem CID 163000767) has the molecular formula C13H8O and a molecular weight of 180.21 g/mol. Its IUPAC name is (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane
PubChem CID163000767
Molecular FormulaC13H8O
Molecular Weight180.21 g/mol
Exact Mass180.06
IUPAC Name(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane
SMILESCC#CC#CC#CC#C/C=C/[C@@H]1CO1
InChIInChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h10-11,13H,12H2,1H3/b11-10+/t13-/m1/s1
InChIKeyYSBRTMBNHRGHRP-OCHBPSSRSA-N
XLogP0.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane?
The IUPAC name of (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane (CID 163000767) is (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane.
What is the SMILES notation for (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane?
The canonical SMILES for (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane is CC#CC#CC#CC#C/C=C/[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane?
The InChIKey is YSBRTMBNHRGHRP-OCHBPSSRSA-N. The full InChI is InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h10-11,13H,12H2,1H3/b11-10+/t13-/m1/s1.
What are the key properties of (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane?
(2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane has a molecular weight of 180.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-undec-1-en-3,5,7,9-tetraynyl]oxirane is sourced from PubChem (CID 163000767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).