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

C11H20O — CID 10511329

IUPAC(2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane
SMILESCCCCC/C=C\C[C@]1(C)CO1
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12-11/h7-8H,3-6,9-10H2,1-2H3/b8-7-/t11-/m1/s1
InChIKeyRYYNWAGKOCCCGO-SKVAFPRGSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds6

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

(2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane (PubChem CID 10511329) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane
PubChem CID10511329
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane
SMILESCCCCC/C=C\C[C@]1(C)CO1
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12-11/h7-8H,3-6,9-10H2,1-2H3/b8-7-/t11-/m1/s1
InChIKeyRYYNWAGKOCCCGO-SKVAFPRGSA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
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-methyl-2-[(Z)-oct-2-enyl]oxirane?
The IUPAC name of (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane (CID 10511329) is (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane.
What is the SMILES notation for (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane?
The canonical SMILES for (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane is CCCCC/C=C\C[C@]1(C)CO1.
What is the InChIKey of (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane?
The InChIKey is RYYNWAGKOCCCGO-SKVAFPRGSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12-11/h7-8H,3-6,9-10H2,1-2H3/b8-7-/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane?
(2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(Z)-oct-2-enyl]oxirane is sourced from PubChem (CID 10511329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).