(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane

C19H38O — CID 11022381

IUPAC(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
SMILESCC(C)CCCC(C)CCCC(C)CCC[C@]1(C)CO1
InChIInChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20-19/h16-18H,6-15H2,1-5H3/t17?,18?,19-/m1/s1
InChIKeyJCBKDEPTGAMOKJ-CTWPCTMYSA-N
MW282.51 g/mol
LogP6.21
Rot. Bonds12

About (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane

(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane (PubChem CID 11022381) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
PubChem CID11022381
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
SMILESCC(C)CCCC(C)CCCC(C)CCC[C@]1(C)CO1
InChIInChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20-19/h16-18H,6-15H2,1-5H3/t17?,18?,19-/m1/s1
InChIKeyJCBKDEPTGAMOKJ-CTWPCTMYSA-N
XLogP6.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane
CID 90238889
2-(8,12-dimethyl-4-propan-2-yltridecyl)-2,5,5-trimethyl-1,3-dioxane
CID 135266796
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
CID 567139
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
[3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
CID 59079086
(3R)-3,5,7,8-tetramethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,4-dihydroisochromen-6-ol
CID 171350398
2,5,9,13-tetramethyltetradecane
CID 58292409
[(2S,3S)-3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methyl acetate
CID 162941072
(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 14609990
2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
CID 90239347
2-methyl-2-pentyloxirane
CID 559073
(2S)-2-(3-bromopropyl)-2-methyloxirane
CID 102064585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane?
The IUPAC name of (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane (CID 11022381) is (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane.
What is the SMILES notation for (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane?
The canonical SMILES for (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane is CC(C)CCCC(C)CCCC(C)CCC[C@]1(C)CO1.
What is the InChIKey of (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane?
The InChIKey is JCBKDEPTGAMOKJ-CTWPCTMYSA-N. The full InChI is InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20-19/h16-18H,6-15H2,1-5H3/t17?,18?,19-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane?
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane has a molecular weight of 282.51 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane is sourced from PubChem (CID 11022381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).