3-(5-methylhexan-2-ylidene)dioxirane

C8H14O2 — CID 171059529

IUPAC3-(5-methylhexan-2-ylidene)dioxirane
SMILESCC(CCC(C)C)=C1OO1
InChIInChI=1S/C8H14O2/c1-6(2)4-5-7(3)8-9-10-8/h6H,4-5H2,1-3H3
InChIKeyTWUJJHLLEPCSMT-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.62
Rot. Bonds3

About 3-(5-methylhexan-2-ylidene)dioxirane

3-(5-methylhexan-2-ylidene)dioxirane (PubChem CID 171059529) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylidene)dioxirane.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylidene)dioxirane
PubChem CID171059529
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(5-methylhexan-2-ylidene)dioxirane
SMILESCC(CCC(C)C)=C1OO1
InChIInChI=1S/C8H14O2/c1-6(2)4-5-7(3)8-9-10-8/h6H,4-5H2,1-3H3
InChIKeyTWUJJHLLEPCSMT-UHFFFAOYSA-N
XLogP2.62
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-5-methylidenenonane
CID 545812
2-methyl-5-methylideneundecane
CID 54320712
2-methyltetradecan-5-one
CID 19931308
(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
CID 134400549
3,4,8-trimethylnon-3-ene
CID 123973517
18-methylnonadecan-2-one
CID 90921447
2-methylnonadecane;propan-2-one
CID 141405407
(Z)-3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 87139174
3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 140576273
8-methylnonan-2-one
CID 528744
2-[(E)-2,6-dimethylhept-1-enyl]-4,5-dimethyl-1,3-dioxolane
CID 90241198
4-methylpentanoic acid;octanoic acid
CID 88696485

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylidene)dioxirane?
The IUPAC name of 3-(5-methylhexan-2-ylidene)dioxirane (CID 171059529) is 3-(5-methylhexan-2-ylidene)dioxirane.
What is the SMILES notation for 3-(5-methylhexan-2-ylidene)dioxirane?
The canonical SMILES for 3-(5-methylhexan-2-ylidene)dioxirane is CC(CCC(C)C)=C1OO1.
What is the InChIKey of 3-(5-methylhexan-2-ylidene)dioxirane?
The InChIKey is TWUJJHLLEPCSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)4-5-7(3)8-9-10-8/h6H,4-5H2,1-3H3.
What are the key properties of 3-(5-methylhexan-2-ylidene)dioxirane?
3-(5-methylhexan-2-ylidene)dioxirane has a molecular weight of 142.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylidene)dioxirane is sourced from PubChem (CID 171059529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).