bis(2,4-dimethylpentan-3-yl) carbonate

C15H30O3 — CID 87168840

IUPACbis(2,4-dimethylpentan-3-yl) carbonate
SMILESCC(C)C(OC(=O)OC(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30O3/c1-9(2)13(10(3)4)17-15(16)18-14(11(5)6)12(7)8/h9-14H,1-8H3
InChIKeyNHOUMKBANJHWTF-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.50
Rot. Bonds6

About bis(2,4-dimethylpentan-3-yl) carbonate

bis(2,4-dimethylpentan-3-yl) carbonate (PubChem CID 87168840) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is bis(2,4-dimethylpentan-3-yl) carbonate.

Molecular Properties

Compound Namebis(2,4-dimethylpentan-3-yl) carbonate
PubChem CID87168840
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Namebis(2,4-dimethylpentan-3-yl) carbonate
SMILESCC(C)C(OC(=O)OC(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30O3/c1-9(2)13(10(3)4)17-15(16)18-14(11(5)6)12(7)8/h9-14H,1-8H3
InChIKeyNHOUMKBANJHWTF-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
[2,5-dimethyl-4-(2-methylpropoxycarbonyloxy)hexan-3-yl] 2-methylpropyl carbonate
CID 88596961
2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
CID 118654590
2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
CID 166505180
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
4-O-(2,4-dimethylpentan-3-yl) 1-O-ethyl butanedioate
CID 91713409
[(3S,4S)-2,4-dimethyl-5-oxoheptan-3-yl] methyl carbonate
CID 10775098
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
CID 124561868
[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
CID 118272073
2,4-dimethylpentan-3-yl [(3Z,6Z,9Z)-dodeca-3,6,9-trienyl] carbonate
CID 140637121

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpentan-3-yl) carbonate?
The IUPAC name of bis(2,4-dimethylpentan-3-yl) carbonate (CID 87168840) is bis(2,4-dimethylpentan-3-yl) carbonate.
What is the SMILES notation for bis(2,4-dimethylpentan-3-yl) carbonate?
The canonical SMILES for bis(2,4-dimethylpentan-3-yl) carbonate is CC(C)C(OC(=O)OC(C(C)C)C(C)C)C(C)C.
What is the InChIKey of bis(2,4-dimethylpentan-3-yl) carbonate?
The InChIKey is NHOUMKBANJHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-9(2)13(10(3)4)17-15(16)18-14(11(5)6)12(7)8/h9-14H,1-8H3.
What are the key properties of bis(2,4-dimethylpentan-3-yl) carbonate?
bis(2,4-dimethylpentan-3-yl) carbonate has a molecular weight of 258.40 g/mol, XLogP of 4.50, 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-3-yl) carbonate is sourced from PubChem (CID 87168840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).