bis(3-hydroxy-2,2-dimethylbutyl) carbonate

C13H26O5 — CID 57220695

IUPACbis(3-hydroxy-2,2-dimethylbutyl) carbonate
SMILESCC(O)C(C)(C)COC(=O)OCC(C)(C)C(C)O
InChIInChI=1S/C13H26O5/c1-9(14)12(3,4)7-17-11(16)18-8-13(5,6)10(2)15/h9-10,14-15H,7-8H2,1-6H3
InChIKeyMJPZZJAMPJDYGS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

About bis(3-hydroxy-2,2-dimethylbutyl) carbonate

bis(3-hydroxy-2,2-dimethylbutyl) carbonate (PubChem CID 57220695) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is bis(3-hydroxy-2,2-dimethylbutyl) carbonate.

Molecular Properties

Compound Namebis(3-hydroxy-2,2-dimethylbutyl) carbonate
PubChem CID57220695
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Namebis(3-hydroxy-2,2-dimethylbutyl) carbonate
SMILESCC(O)C(C)(C)COC(=O)OCC(C)(C)C(C)O
InChIInChI=1S/C13H26O5/c1-9(14)12(3,4)7-17-11(16)18-8-13(5,6)10(2)15/h9-10,14-15H,7-8H2,1-6H3
InChIKeyMJPZZJAMPJDYGS-UHFFFAOYSA-N
XLogP1.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
CID 118490954
2,2-dimethylpropyl 2-methylbutyl carbonate
CID 91695775
6-hydroxy-2,2,5,5-tetramethylheptan-3-one
CID 129106524
2,2-dimethylpropyl iodomethyl carbonate
CID 23449228
5-hydroxy-4,4-dimethylhexanoic acid
CID 19354060
(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate;2-methylpropanal
CID 88609454
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
2,2-dimethylbutane-1,3-diol;methane
CID 158054850
[(3S)-3-methoxy-2,2,4-trimethylpentyl] 2-methylpropanoate
CID 89335990
[(3R)-2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CID 6999620
bis[2,2-bis(2,3-dimethylbutan-2-ylperoxycarbonyloxymethyl)butyl] carbonate
CID 54536843
2-(2-amino-2-methylpropoxy)propanamide
CID 64535809

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxy-2,2-dimethylbutyl) carbonate?
The IUPAC name of bis(3-hydroxy-2,2-dimethylbutyl) carbonate (CID 57220695) is bis(3-hydroxy-2,2-dimethylbutyl) carbonate.
What is the SMILES notation for bis(3-hydroxy-2,2-dimethylbutyl) carbonate?
The canonical SMILES for bis(3-hydroxy-2,2-dimethylbutyl) carbonate is CC(O)C(C)(C)COC(=O)OCC(C)(C)C(C)O.
What is the InChIKey of bis(3-hydroxy-2,2-dimethylbutyl) carbonate?
The InChIKey is MJPZZJAMPJDYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-9(14)12(3,4)7-17-11(16)18-8-13(5,6)10(2)15/h9-10,14-15H,7-8H2,1-6H3.
What are the key properties of bis(3-hydroxy-2,2-dimethylbutyl) carbonate?
bis(3-hydroxy-2,2-dimethylbutyl) carbonate has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxy-2,2-dimethylbutyl) carbonate is sourced from PubChem (CID 57220695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).