(2R)-2-[(Z)-oct-5-enyl]oxirane

C10H18O — CID 135006322

IUPAC(2R)-2-[(Z)-oct-5-enyl]oxirane
SMILESCC/C=C\CCCC[C@@H]1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h3-4,10H,2,5-9H2,1H3/b4-3-/t10-/m1/s1
InChIKeyDTKHFGCRCWWVSC-UMBAGQNISA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds6

About (2R)-2-[(Z)-oct-5-enyl]oxirane

(2R)-2-[(Z)-oct-5-enyl]oxirane (PubChem CID 135006322) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-[(Z)-oct-5-enyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(Z)-oct-5-enyl]oxirane
PubChem CID135006322
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R)-2-[(Z)-oct-5-enyl]oxirane
SMILESCC/C=C\CCCC[C@@H]1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h3-4,10H,2,5-9H2,1H3/b4-3-/t10-/m1/s1
InChIKeyDTKHFGCRCWWVSC-UMBAGQNISA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-oct-5-enyl]oxirane?
The IUPAC name of (2R)-2-[(Z)-oct-5-enyl]oxirane (CID 135006322) is (2R)-2-[(Z)-oct-5-enyl]oxirane.
What is the SMILES notation for (2R)-2-[(Z)-oct-5-enyl]oxirane?
The canonical SMILES for (2R)-2-[(Z)-oct-5-enyl]oxirane is CC/C=C\CCCC[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(Z)-oct-5-enyl]oxirane?
The InChIKey is DTKHFGCRCWWVSC-UMBAGQNISA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h3-4,10H,2,5-9H2,1H3/b4-3-/t10-/m1/s1.
What are the key properties of (2R)-2-[(Z)-oct-5-enyl]oxirane?
(2R)-2-[(Z)-oct-5-enyl]oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-oct-5-enyl]oxirane is sourced from PubChem (CID 135006322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).