(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane

C18H36O — CID 87998146

IUPAC(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane
SMILESCCCCCCCCCC[C@H]1O[C@H]1CCCC(C)C
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-17-18(19-17)15-12-13-16(2)3/h16-18H,4-15H2,1-3H3/t17-,18+/m1/s1
InChIKeyMYAXSLNSJQGASK-MSOLQXFVSA-N
MW268.48 g/mol
LogP6.11
Rot. Bonds13

About (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane

(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane (PubChem CID 87998146) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane
PubChem CID87998146
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane
SMILESCCCCCCCCCC[C@H]1O[C@H]1CCCC(C)C
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-17-18(19-17)15-12-13-16(2)3/h16-18H,4-15H2,1-3H3/t17-,18+/m1/s1
InChIKeyMYAXSLNSJQGASK-MSOLQXFVSA-N
XLogP6.11
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
2-[(E)-dec-2-enyl]-3-(5-methylhexyl)oxirane
CID 91749865
(2S,3R)-2-decyl-3-(3-methylbutylsulfanylmethyl)oxirane
CID 71582856
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-ethyl-3-henicosyloxirane
CID 20501424

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane?
The IUPAC name of (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane (CID 87998146) is (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane.
What is the SMILES notation for (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane?
The canonical SMILES for (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane is CCCCCCCCCC[C@H]1O[C@H]1CCCC(C)C.
What is the InChIKey of (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane?
The InChIKey is MYAXSLNSJQGASK-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-17-18(19-17)15-12-13-16(2)3/h16-18H,4-15H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane?
(2R,3S)-2-decyl-3-(4-methylpentyl)oxirane has a molecular weight of 268.48 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-decyl-3-(4-methylpentyl)oxirane is sourced from PubChem (CID 87998146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).