(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane

C10H18O — CID 56642234

IUPAC(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane
SMILESCC(C)=CCC[C@H](C)[C@@H]1CO1
InChIInChI=1S/C10H18O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyGLYYRWADVSGYMW-UWVGGRQHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane

(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane (PubChem CID 56642234) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane
PubChem CID56642234
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane
SMILESCC(C)=CCC[C@H](C)[C@@H]1CO1
InChIInChI=1S/C10H18O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyGLYYRWADVSGYMW-UWVGGRQHSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(2S)-6-methylhept-5-en-2-yl]oxirane?
The IUPAC name of (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane (CID 56642234) is (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane.
What is the SMILES notation for (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane?
The canonical SMILES for (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane is CC(C)=CCC[C@H](C)[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane?
The InChIKey is GLYYRWADVSGYMW-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,9-10H,4,6-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane?
(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane is sourced from PubChem (CID 56642234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).