butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate

C13H24O5 — CID 166505189

IUPACbutan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
SMILESCCC(C)OC(=O)OC(C)(C)C(=O)OC(C)CC
InChIInChI=1S/C13H24O5/c1-7-9(3)16-11(14)13(5,6)18-12(15)17-10(4)8-2/h9-10H,7-8H2,1-6H3
InChIKeyRMIRKGYDZVMPCH-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.06
Rot. Bonds6

About butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate

butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate (PubChem CID 166505189) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate.

Molecular Properties

Compound Namebutan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
PubChem CID166505189
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Namebutan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
SMILESCCC(C)OC(=O)OC(C)(C)C(=O)OC(C)CC
InChIInChI=1S/C13H24O5/c1-7-9(3)16-11(14)13(5,6)18-12(15)17-10(4)8-2/h9-10H,7-8H2,1-6H3
InChIKeyRMIRKGYDZVMPCH-UHFFFAOYSA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl 2-but-2-enoyloxy-2-methylpropanoate
CID 166141613
dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989360
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
butan-2-yl 2-bromo-2,2-difluoroacetate
CID 87123357
butan-2-yl 4,4-dimethylpentanoate
CID 89192130
butan-2-yl 2-amino-2-cyclopropylpropanoate
CID 60904237
butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 592907
butan-2-yl butan-2-yloxycarbonyl carbonate;2,7-dimethylocta-3,5-diyne-2,7-diol
CID 160606085
butan-2-yl butan-2-ylperoxycarbonyloxy carbonate
CID 171636508
1-chloropropan-2-yl 2-carboxyoxy-2-methylpropanoate
CID 156560292

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate?
The IUPAC name of butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate (CID 166505189) is butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate.
What is the SMILES notation for butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate?
The canonical SMILES for butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate is CCC(C)OC(=O)OC(C)(C)C(=O)OC(C)CC.
What is the InChIKey of butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate?
The InChIKey is RMIRKGYDZVMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-7-9(3)16-11(14)13(5,6)18-12(15)17-10(4)8-2/h9-10H,7-8H2,1-6H3.
What are the key properties of butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate?
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate has a molecular weight of 260.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate is sourced from PubChem (CID 166505189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).