(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane

C13H26O2 — CID 10727392

IUPAC(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
SMILESCCC1(C[C@H](C)C(C)C)O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C13H26O2/c1-7-13(8-10(4)9(2)3)14-11(5)12(6)15-13/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyFSBZNVBZWMGGNO-QJPTWQEYSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds4

About (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane

(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane (PubChem CID 10727392) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
PubChem CID10727392
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
SMILESCCC1(C[C@H](C)C(C)C)O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C13H26O2/c1-7-13(8-10(4)9(2)3)14-11(5)12(6)15-13/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyFSBZNVBZWMGGNO-QJPTWQEYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-propan-2-yloxirane;2,3-dimethyl-4-tritiopentane
CID 161043827
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
CID 123895340
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
2,2,4,5-tetraethyl-1,3-dioxolane
CID 89360618
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
3,3,6,6-tetraethyl-1,2,4,5-tetraoxane
CID 12579351
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
(3aR,6aS)-2,2-diethyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 167134303
1-ethyl-2-methyl-1-[2-(1-methylcyclopropyl)propyl]cyclopropane
CID 123170471
1-(2,3-dimethylbutyl)-1-methyl-3-(2-methylcyclopropyl)cyclopentane
CID 163796693
2-[(2R,3S)-3-(1,3-dioxolan-2-ylmethyl)-5-iodo-2-methylpentyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 10895187
2,2-diethyl-5-methyl-1,3-dioxane
CID 59269402

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane (CID 10727392) is (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane is CCC1(C[C@H](C)C(C)C)O[C@H](C)[C@@H](C)O1.
What is the InChIKey of (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane?
The InChIKey is FSBZNVBZWMGGNO-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-13(8-10(4)9(2)3)14-11(5)12(6)15-13/h9-12H,7-8H2,1-6H3/t10-,11+,12+/m0/s1.
What are the key properties of (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane?
(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10727392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).