bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate

C13H26O5 — CID 118293174

IUPACbis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate
SMILESCC(C)(O)C(C)(C)OC(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H26O5/c1-10(2,15)12(5,6)17-9(14)18-13(7,8)11(3,4)16/h15-16H,1-8H3
InChIKeyOVKFGYXPVHSOKR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.24
Rot. Bonds4

About bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate

bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate (PubChem CID 118293174) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate.

Molecular Properties

Compound Namebis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate
PubChem CID118293174
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Namebis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate
SMILESCC(C)(O)C(C)(C)OC(=O)OC(C)(C)C(C)(C)O
InChIInChI=1S/C13H26O5/c1-10(2,15)12(5,6)17-9(14)18-13(7,8)11(3,4)16/h15-16H,1-8H3
InChIKeyOVKFGYXPVHSOKR-UHFFFAOYSA-N
XLogP2.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate?
The IUPAC name of bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate (CID 118293174) is bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate.
What is the SMILES notation for bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate?
The canonical SMILES for bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate is CC(C)(O)C(C)(C)OC(=O)OC(C)(C)C(C)(C)O.
What is the InChIKey of bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate?
The InChIKey is OVKFGYXPVHSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-10(2,15)12(5,6)17-9(14)18-13(7,8)11(3,4)16/h15-16H,1-8H3.
What are the key properties of bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate?
bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate has a molecular weight of 262.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxy-2,3-dimethylbutan-2-yl) carbonate is sourced from PubChem (CID 118293174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).