2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane

C16H30O2 — CID 59339950

IUPAC2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
SMILESCC1(CCCCCCCCCCC2(C)CO2)CO1
InChIInChI=1S/C16H30O2/c1-15(13-17-15)11-9-7-5-3-4-6-8-10-12-16(2)14-18-16/h3-14H2,1-2H3
InChIKeyWYWZITKVCCJVFA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.47
Rot. Bonds11

About 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane

2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane (PubChem CID 59339950) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane.

Molecular Properties

Compound Name2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
PubChem CID59339950
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
SMILESCC1(CCCCCCCCCCC2(C)CO2)CO1
InChIInChI=1S/C16H30O2/c1-15(13-17-15)11-9-7-5-3-4-6-8-10-12-16(2)14-18-16/h3-14H2,1-2H3
InChIKeyWYWZITKVCCJVFA-UHFFFAOYSA-N
XLogP4.47
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87753382
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CID 87754306
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2-methyl-2-pentyloxirane
CID 559073
(2S)-2-(3-bromopropyl)-2-methyloxirane
CID 102064585
2-methyl-2-oct-6-ynyloxirane
CID 85157065
2-methyl-2-nonadecyloxirane;phosphoric acid
CID 87754305
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane
CID 141163701
(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[5-(2-methyloxiran-2-yl)pentyl]oxirane
CID 143685491
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane?
The IUPAC name of 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane (CID 59339950) is 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane.
What is the SMILES notation for 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane?
The canonical SMILES for 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane is CC1(CCCCCCCCCCC2(C)CO2)CO1.
What is the InChIKey of 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane?
The InChIKey is WYWZITKVCCJVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15(13-17-15)11-9-7-5-3-4-6-8-10-12-16(2)14-18-16/h3-14H2,1-2H3.
What are the key properties of 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane?
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane has a molecular weight of 254.41 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane is sourced from PubChem (CID 59339950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).