(2S)-2-(5-methylhex-4-enyl)oxirane

C9H16O — CID 102089561

IUPAC(2S)-2-(5-methylhex-4-enyl)oxirane
SMILESCC(C)=CCCC[C@H]1CO1
InChIInChI=1S/C9H16O/c1-8(2)5-3-4-6-9-7-10-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyHRHYZYDVCTZOER-VIFPVBQESA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-(5-methylhex-4-enyl)oxirane

(2S)-2-(5-methylhex-4-enyl)oxirane (PubChem CID 102089561) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-2-(5-methylhex-4-enyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(5-methylhex-4-enyl)oxirane
PubChem CID102089561
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S)-2-(5-methylhex-4-enyl)oxirane
SMILESCC(C)=CCCC[C@H]1CO1
InChIInChI=1S/C9H16O/c1-8(2)5-3-4-6-9-7-10-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyHRHYZYDVCTZOER-VIFPVBQESA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
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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Related Compounds

(E)-2-methyl-12-(oxiran-2-yl)dodec-2-enoic acid
CID 87113705
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
6-(oxiran-2-yl)hex-2-enoic acid
CID 173009974
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
(E)-2-methyl-5-(oxiran-2-yl)pent-2-enoate
CID 22723709
(2R)-2-pentyloxirane
CID 11147691
[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
CID 123931869
2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 72576196
2-methyl-2-[(Z)-10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 59841790
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]oxirane
CID 11446544
2-nonadec-10-enyloxirane
CID 54194145
2-non-8-enyloxirane
CID 86075301

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylhex-4-enyl)oxirane?
The IUPAC name of (2S)-2-(5-methylhex-4-enyl)oxirane (CID 102089561) is (2S)-2-(5-methylhex-4-enyl)oxirane.
What is the SMILES notation for (2S)-2-(5-methylhex-4-enyl)oxirane?
The canonical SMILES for (2S)-2-(5-methylhex-4-enyl)oxirane is CC(C)=CCCC[C@H]1CO1.
What is the InChIKey of (2S)-2-(5-methylhex-4-enyl)oxirane?
The InChIKey is HRHYZYDVCTZOER-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O/c1-8(2)5-3-4-6-9-7-10-9/h5,9H,3-4,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(5-methylhex-4-enyl)oxirane?
(2S)-2-(5-methylhex-4-enyl)oxirane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylhex-4-enyl)oxirane is sourced from PubChem (CID 102089561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).