2-hydroxypropyl 2-methylpropyl carbonate

C8H16O4 — CID 118462000

IUPAC2-hydroxypropyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC(C)O
InChIInChI=1S/C8H16O4/c1-6(2)4-11-8(10)12-5-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyPXHVTVIHMPURIQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.18
Rot. Bonds4

About 2-hydroxypropyl 2-methylpropyl carbonate

2-hydroxypropyl 2-methylpropyl carbonate (PubChem CID 118462000) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylpropyl carbonate
PubChem CID118462000
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-hydroxypropyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC(C)O
InChIInChI=1S/C8H16O4/c1-6(2)4-11-8(10)12-5-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyPXHVTVIHMPURIQ-UHFFFAOYSA-N
XLogP1.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylpropyl carbonate?
The IUPAC name of 2-hydroxypropyl 2-methylpropyl carbonate (CID 118462000) is 2-hydroxypropyl 2-methylpropyl carbonate.
What is the SMILES notation for 2-hydroxypropyl 2-methylpropyl carbonate?
The canonical SMILES for 2-hydroxypropyl 2-methylpropyl carbonate is CC(C)COC(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methylpropyl carbonate?
The InChIKey is PXHVTVIHMPURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-6(2)4-11-8(10)12-5-7(3)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-hydroxypropyl 2-methylpropyl carbonate?
2-hydroxypropyl 2-methylpropyl carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylpropyl carbonate is sourced from PubChem (CID 118462000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).