methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate

C12H24O3 — CID 167539841

IUPACmethyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate
SMILESCOC(=O)OC(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O3/c1-10(2,3)12(7,11(4,5)6)15-9(13)14-8/h1-8H3
InChIKeyBAOROZSKQQXJPN-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.62
Rot. Bonds1

About methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate

methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate (PubChem CID 167539841) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate.

Molecular Properties

Compound Namemethyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate
PubChem CID167539841
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namemethyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate
SMILESCOC(=O)OC(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24O3/c1-10(2,3)12(7,11(4,5)6)15-9(13)14-8/h1-8H3
InChIKeyBAOROZSKQQXJPN-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1,1,3,3,3-hexabromo-2-methylpropan-2-yl) methyl carbonate
CID 59927307
bis(2,2,3,4,4-pentamethylpentan-3-yl) propanedioate
CID 175441685
2-(tert-butyldiazenyl)propan-2-yl methyl carbonate
CID 21495835
dimethyl carbonate;ethane
CID 160632176
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
magnesium;dimethyl carbonate;hydride
CID 173223307
hydroxy-oxo-sulfanylphosphanium;methyl (1,1,1-trichloro-2-methylpropan-2-yl) carbonate
CID 160836552
[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
CID 118490954
5-butylnonan-5-yl methyl carbonate
CID 141441033
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
2-(1-adamantyl)propan-2-yl methyl carbonate
CID 118343727
(6-hydroxy-3,6-dimethyl-2,7-dioxooctan-3-yl) methyl carbonate
CID 166444357

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate?
The IUPAC name of methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate (CID 167539841) is methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate.
What is the SMILES notation for methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate?
The canonical SMILES for methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate is COC(=O)OC(C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate?
The InChIKey is BAOROZSKQQXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(2,3)12(7,11(4,5)6)15-9(13)14-8/h1-8H3.
What are the key properties of methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate?
methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate has a molecular weight of 216.32 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate is sourced from PubChem (CID 167539841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).