(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane

C12H24O2 — CID 15416031

IUPAC(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCCCC[C@H]1CO[C@@H](OC(C)(C)C)C1
InChIInChI=1S/C12H24O2/c1-5-6-7-10-8-11(13-9-10)14-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyPVWBICOAHKHSPA-MNOVXSKESA-N
MW200.32 g/mol
LogP3.35
Rot. Bonds4

About (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane

(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane (PubChem CID 15416031) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane.

Molecular Properties

Compound Name(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane
PubChem CID15416031
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCCCC[C@H]1CO[C@@H](OC(C)(C)C)C1
InChIInChI=1S/C12H24O2/c1-5-6-7-10-8-11(13-9-10)14-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyPVWBICOAHKHSPA-MNOVXSKESA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553
2-methoxy-2-methylpropane;pentane
CID 22145886
2-butyl-5-ethyl-1,3-dioxane
CID 89076507
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1-butyl-3,5-dipropylcyclohexane
CID 145132341
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
diethyl 2-(5-butyl-1,3-dioxan-2-yl)propanedioate
CID 22378551
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 19738699

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane?
The IUPAC name of (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane (CID 15416031) is (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane.
What is the SMILES notation for (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane?
The canonical SMILES for (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane is CCCC[C@H]1CO[C@@H](OC(C)(C)C)C1.
What is the InChIKey of (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane?
The InChIKey is PVWBICOAHKHSPA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24O2/c1-5-6-7-10-8-11(13-9-10)14-12(2,3)4/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane?
(2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane has a molecular weight of 200.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-butyl-2-[(2-methylpropan-2-yl)oxy]oxolane is sourced from PubChem (CID 15416031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).