(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane

C14H26O3 — CID 174395501

IUPAC(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
SMILESCC(C)(CC[C@H]1CO1)OC(C)(C)CC[C@H]1CO1
InChIInChI=1S/C14H26O3/c1-13(2,7-5-11-9-15-11)17-14(3,4)8-6-12-10-16-12/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyDAMZLAPAUPNBEN-RYUDHWBXSA-N
MW242.36 g/mol
LogP2.92
Rot. Bonds8

About (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane

(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane (PubChem CID 174395501) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
PubChem CID174395501
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
SMILESCC(C)(CC[C@H]1CO1)OC(C)(C)CC[C@H]1CO1
InChIInChI=1S/C14H26O3/c1-13(2,7-5-11-9-15-11)17-14(3,4)8-6-12-10-16-12/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKeyDAMZLAPAUPNBEN-RYUDHWBXSA-N
XLogP2.92
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422
2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
dimethoxy-[(2-methylpropan-2-yl)oxy]-[2-(oxiran-2-yl)ethyl]silane
CID 59854331
tert-butyl 9-(oxiran-2-yl)nonanoate
CID 121288864
tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
CID 124636126
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
CID 56622855
CID 168878225
CID 168878225
bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
CID 87186466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane?
The IUPAC name of (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane (CID 174395501) is (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane.
What is the SMILES notation for (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane?
The canonical SMILES for (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane is CC(C)(CC[C@H]1CO1)OC(C)(C)CC[C@H]1CO1.
What is the InChIKey of (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane?
The InChIKey is DAMZLAPAUPNBEN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2,7-5-11-9-15-11)17-14(3,4)8-6-12-10-16-12/h11-12H,5-10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane?
(2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane has a molecular weight of 242.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methyl-3-[2-methyl-4-[(2S)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane is sourced from PubChem (CID 174395501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).