methoxycarbonyl 2-methylbutan-2-yl carbonate

C8H14O5 — CID 170252146

IUPACmethoxycarbonyl 2-methylbutan-2-yl carbonate
SMILESCCC(C)(C)OC(=O)OC(=O)OC
InChIInChI=1S/C8H14O5/c1-5-8(2,3)13-7(10)12-6(9)11-4/h5H2,1-4H3
InChIKeyYCVUFXMVMQZZNS-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.09
Rot. Bonds2

About methoxycarbonyl 2-methylbutan-2-yl carbonate

methoxycarbonyl 2-methylbutan-2-yl carbonate (PubChem CID 170252146) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methoxycarbonyl 2-methylbutan-2-yl carbonate.

Molecular Properties

Compound Namemethoxycarbonyl 2-methylbutan-2-yl carbonate
PubChem CID170252146
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethoxycarbonyl 2-methylbutan-2-yl carbonate
SMILESCCC(C)(C)OC(=O)OC(=O)OC
InChIInChI=1S/C8H14O5/c1-5-8(2,3)13-7(10)12-6(9)11-4/h5H2,1-4H3
InChIKeyYCVUFXMVMQZZNS-UHFFFAOYSA-N
XLogP2.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-methylbutan-2-yl 2-chloropropanoate
CID 523714
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
2-ethylpentyl 2-methylbutan-2-yl carbonate
CID 139479516
methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
CID 131977674
2-methylbutan-2-yl 3-acetamidopropanoate
CID 134215822
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67185287
methoxycarbonyl methyl carbonate;triiodovanadium
CID 162163746
methyl 2-methyl-2-propanoyloxypropanoate
CID 54231226
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl 2-methylbutan-2-yl carbonate?
The IUPAC name of methoxycarbonyl 2-methylbutan-2-yl carbonate (CID 170252146) is methoxycarbonyl 2-methylbutan-2-yl carbonate.
What is the SMILES notation for methoxycarbonyl 2-methylbutan-2-yl carbonate?
The canonical SMILES for methoxycarbonyl 2-methylbutan-2-yl carbonate is CCC(C)(C)OC(=O)OC(=O)OC.
What is the InChIKey of methoxycarbonyl 2-methylbutan-2-yl carbonate?
The InChIKey is YCVUFXMVMQZZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-5-8(2,3)13-7(10)12-6(9)11-4/h5H2,1-4H3.
What are the key properties of methoxycarbonyl 2-methylbutan-2-yl carbonate?
methoxycarbonyl 2-methylbutan-2-yl carbonate has a molecular weight of 190.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl 2-methylbutan-2-yl carbonate is sourced from PubChem (CID 170252146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).