2-(8-methylnon-1-enoxymethyl)oxirane

C13H24O2 — CID 140713712

IUPAC2-(8-methylnon-1-enoxymethyl)oxirane
SMILESCC(C)CCCCCC=COCC1CO1
InChIInChI=1S/C13H24O2/c1-12(2)8-6-4-3-5-7-9-14-10-13-11-15-13/h7,9,12-13H,3-6,8,10-11H2,1-2H3
InChIKeyWYYVAMMKZPQUKN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds9

About 2-(8-methylnon-1-enoxymethyl)oxirane

2-(8-methylnon-1-enoxymethyl)oxirane (PubChem CID 140713712) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(8-methylnon-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(8-methylnon-1-enoxymethyl)oxirane
PubChem CID140713712
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(8-methylnon-1-enoxymethyl)oxirane
SMILESCC(C)CCCCCC=COCC1CO1
InChIInChI=1S/C13H24O2/c1-12(2)8-6-4-3-5-7-9-14-10-13-11-15-13/h7,9,12-13H,3-6,8,10-11H2,1-2H3
InChIKeyWYYVAMMKZPQUKN-UHFFFAOYSA-N
XLogP3.52
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oct-1-enoxymethyl)oxirane
CID 57286562
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
CID 57121799
2-(icosa-1,3,5-trienoxymethyl)oxirane
CID 175287179
2-(pent-1-enoxymethyl)oxirane
CID 54343228
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine;hydrochloride
CID 173359513
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylnon-1-enoxymethyl)oxirane?
The IUPAC name of 2-(8-methylnon-1-enoxymethyl)oxirane (CID 140713712) is 2-(8-methylnon-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(8-methylnon-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(8-methylnon-1-enoxymethyl)oxirane is CC(C)CCCCCC=COCC1CO1.
What is the InChIKey of 2-(8-methylnon-1-enoxymethyl)oxirane?
The InChIKey is WYYVAMMKZPQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)8-6-4-3-5-7-9-14-10-13-11-15-13/h7,9,12-13H,3-6,8,10-11H2,1-2H3.
What are the key properties of 2-(8-methylnon-1-enoxymethyl)oxirane?
2-(8-methylnon-1-enoxymethyl)oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylnon-1-enoxymethyl)oxirane is sourced from PubChem (CID 140713712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).