bis(2,4-dimethylpentan-2-yl) carbonate

C15H30O3 — CID 87132187

IUPACbis(2,4-dimethylpentan-2-yl) carbonate
SMILESCC(C)CC(C)(C)OC(=O)OC(C)(C)CC(C)C
InChIInChI=1S/C15H30O3/c1-11(2)9-14(5,6)17-13(16)18-15(7,8)10-12(3)4/h11-12H,9-10H2,1-8H3
InChIKeyWVYXFYBFFRQBLB-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.79
Rot. Bonds6

About bis(2,4-dimethylpentan-2-yl) carbonate

bis(2,4-dimethylpentan-2-yl) carbonate (PubChem CID 87132187) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is bis(2,4-dimethylpentan-2-yl) carbonate.

Molecular Properties

Compound Namebis(2,4-dimethylpentan-2-yl) carbonate
PubChem CID87132187
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namebis(2,4-dimethylpentan-2-yl) carbonate
SMILESCC(C)CC(C)(C)OC(=O)OC(C)(C)CC(C)C
InChIInChI=1S/C15H30O3/c1-11(2)9-14(5,6)17-13(16)18-15(7,8)10-12(3)4/h11-12H,9-10H2,1-8H3
InChIKeyWVYXFYBFFRQBLB-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
2,4-dimethylpentan-2-yl 2-methylbutanoate
CID 121443885
3-(2,4-dimethylpentan-2-yloxy)-3-oxopropanoic acid
CID 162355559
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
3-(2,4-dimethylpentan-2-yloxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 123604852
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
2,4-dimethylpentan-2-yloxy(propan-2-yl)phosphinous acid
CID 178061961
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpentan-2-yl) carbonate?
The IUPAC name of bis(2,4-dimethylpentan-2-yl) carbonate (CID 87132187) is bis(2,4-dimethylpentan-2-yl) carbonate.
What is the SMILES notation for bis(2,4-dimethylpentan-2-yl) carbonate?
The canonical SMILES for bis(2,4-dimethylpentan-2-yl) carbonate is CC(C)CC(C)(C)OC(=O)OC(C)(C)CC(C)C.
What is the InChIKey of bis(2,4-dimethylpentan-2-yl) carbonate?
The InChIKey is WVYXFYBFFRQBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-11(2)9-14(5,6)17-13(16)18-15(7,8)10-12(3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of bis(2,4-dimethylpentan-2-yl) carbonate?
bis(2,4-dimethylpentan-2-yl) carbonate has a molecular weight of 258.40 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpentan-2-yl) carbonate is sourced from PubChem (CID 87132187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).