(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane

C14H24O3 — CID 135010286

IUPAC(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
SMILESCCCC[C@H]1O[C@@H]1C[C@H]1O[C@@H]1C[C@H]1OC1(C)C
InChIInChI=1S/C14H24O3/c1-4-5-6-9-10(15-9)7-11-12(16-11)8-13-14(2,3)17-13/h9-13H,4-8H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyBKVZMOCFDGJBMI-SYLRKERUSA-N
MW240.34 g/mol
LogP2.67
Rot. Bonds7

About (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane

(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane (PubChem CID 135010286) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
PubChem CID135010286
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
SMILESCCCC[C@H]1O[C@@H]1C[C@H]1O[C@@H]1C[C@H]1OC1(C)C
InChIInChI=1S/C14H24O3/c1-4-5-6-9-10(15-9)7-11-12(16-11)8-13-14(2,3)17-13/h9-13H,4-8H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyBKVZMOCFDGJBMI-SYLRKERUSA-N
XLogP2.67
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-butyl-3-undecyloxirane
CID 88518775
2-butyl-3-[2-[2-(3-butyloxiran-2-yl)ethoxy]ethyl]oxirane
CID 56989250
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
CID 23428201
(2S,3R)-2-butyl-3-(methoxymethyl)oxirane
CID 15326198
(2R,3S)-2-pent-2-ynyl-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxirane
CID 11131031
2-[(2-methylcyclopropyl)methyl]-3-pentyloxirane
CID 88536116

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane?
The IUPAC name of (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane (CID 135010286) is (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane.
What is the SMILES notation for (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane?
The canonical SMILES for (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane is CCCC[C@H]1O[C@@H]1C[C@H]1O[C@@H]1C[C@H]1OC1(C)C.
What is the InChIKey of (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane?
The InChIKey is BKVZMOCFDGJBMI-SYLRKERUSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-6-9-10(15-9)7-11-12(16-11)8-13-14(2,3)17-13/h9-13H,4-8H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane?
(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane has a molecular weight of 240.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane is sourced from PubChem (CID 135010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).