hydroxy 2-methylpropyl carbonate

C5H10O4 — CID 140981524

IUPAChydroxy 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OO
InChIInChI=1S/C5H10O4/c1-4(2)3-8-5(6)9-7/h4,7H,3H2,1-2H3
InChIKeyZKNYXQYURYDTBQ-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.27
Rot. Bonds2

About hydroxy 2-methylpropyl carbonate

hydroxy 2-methylpropyl carbonate (PubChem CID 140981524) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is hydroxy 2-methylpropyl carbonate.

Molecular Properties

Compound Namehydroxy 2-methylpropyl carbonate
PubChem CID140981524
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Namehydroxy 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OO
InChIInChI=1S/C5H10O4/c1-4(2)3-8-5(6)9-7/h4,7H,3H2,1-2H3
InChIKeyZKNYXQYURYDTBQ-UHFFFAOYSA-N
XLogP1.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
[2,5-dimethyl-4-(2-methylpropoxycarbonyloxy)hexan-3-yl] 2-methylpropyl carbonate
CID 88596961
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl prop-2-enyl carbonate
CID 6420250
ethanol;2-methylpropyl pentyl carbonate
CID 174542240
2-methylpropyl acetate;hydrate
CID 86585368
CID 136863386
CID 136863386
bis(2-methylpropoxycarbonyl) hexanedioate
CID 87754292
cyanomethyl 2-methylpropyl carbonate
CID 155712779
2-methylpropyl 2-propylpentyl carbonate
CID 138486320
2-methylpropoxycarbonyl 2,2-dimethylpropanoate
CID 131856806

Frequently Asked Questions

What is the IUPAC name of hydroxy 2-methylpropyl carbonate?
The IUPAC name of hydroxy 2-methylpropyl carbonate (CID 140981524) is hydroxy 2-methylpropyl carbonate.
What is the SMILES notation for hydroxy 2-methylpropyl carbonate?
The canonical SMILES for hydroxy 2-methylpropyl carbonate is CC(C)COC(=O)OO.
What is the InChIKey of hydroxy 2-methylpropyl carbonate?
The InChIKey is ZKNYXQYURYDTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-4(2)3-8-5(6)9-7/h4,7H,3H2,1-2H3.
What are the key properties of hydroxy 2-methylpropyl carbonate?
hydroxy 2-methylpropyl carbonate has a molecular weight of 134.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy 2-methylpropyl carbonate is sourced from PubChem (CID 140981524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).