2-methylpropoxycarbonyl 2,2-dimethylpropanoate

C10H18O4 — CID 131856806

IUPAC2-methylpropoxycarbonyl 2,2-dimethylpropanoate
SMILESCC(C)COC(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(2)6-13-9(12)14-8(11)10(3,4)5/h7H,6H2,1-5H3
InChIKeyPPHDHZRFRSWUHP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.37
Rot. Bonds2

About 2-methylpropoxycarbonyl 2,2-dimethylpropanoate

2-methylpropoxycarbonyl 2,2-dimethylpropanoate (PubChem CID 131856806) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methylpropoxycarbonyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-methylpropoxycarbonyl 2,2-dimethylpropanoate
PubChem CID131856806
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methylpropoxycarbonyl 2,2-dimethylpropanoate
SMILESCC(C)COC(=O)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(2)6-13-9(12)14-8(11)10(3,4)5/h7H,6H2,1-5H3
InChIKeyPPHDHZRFRSWUHP-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
bis(2-methylpropoxycarbonyl) hexanedioate
CID 87754292
hydroxy 2-methylpropyl carbonate
CID 140981524
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
[2,5-dimethyl-5-(2-methylpropoxycarbonyloxyperoxy)hexan-2-yl]peroxy 2-methylpropyl carbonate
CID 21195091
2-chloropropanoyl 2,2-dimethylpropanoate
CID 87115965
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152
2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxycarbonyl 2,2-dimethylpropanoate?
The IUPAC name of 2-methylpropoxycarbonyl 2,2-dimethylpropanoate (CID 131856806) is 2-methylpropoxycarbonyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-methylpropoxycarbonyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-methylpropoxycarbonyl 2,2-dimethylpropanoate is CC(C)COC(=O)OC(=O)C(C)(C)C.
What is the InChIKey of 2-methylpropoxycarbonyl 2,2-dimethylpropanoate?
The InChIKey is PPHDHZRFRSWUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)6-13-9(12)14-8(11)10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-methylpropoxycarbonyl 2,2-dimethylpropanoate?
2-methylpropoxycarbonyl 2,2-dimethylpropanoate has a molecular weight of 202.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxycarbonyl 2,2-dimethylpropanoate is sourced from PubChem (CID 131856806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).