propyl 2-methyl-2-propan-2-yloxypropanoate

C10H20O3 — CID 174484863

IUPACpropyl 2-methyl-2-propan-2-yloxypropanoate
SMILESCCCOC(=O)C(C)(C)OC(C)C
InChIInChI=1S/C10H20O3/c1-6-7-12-9(11)10(4,5)13-8(2)3/h8H,6-7H2,1-5H3
InChIKeyDTHZOLAKHRYKHY-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds5

About propyl 2-methyl-2-propan-2-yloxypropanoate

propyl 2-methyl-2-propan-2-yloxypropanoate (PubChem CID 174484863) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is propyl 2-methyl-2-propan-2-yloxypropanoate.

Molecular Properties

Compound Namepropyl 2-methyl-2-propan-2-yloxypropanoate
PubChem CID174484863
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namepropyl 2-methyl-2-propan-2-yloxypropanoate
SMILESCCCOC(=O)C(C)(C)OC(C)C
InChIInChI=1S/C10H20O3/c1-6-7-12-9(11)10(4,5)13-8(2)3/h8H,6-7H2,1-5H3
InChIKeyDTHZOLAKHRYKHY-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
propyl 2-methyl-2-(methylamino)butanoate
CID 88573516
2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837
3-methylbutyl acetate;propyl 2,2-dimethylpropanoate
CID 174975748
1-O-ethyl 3-O-propyl 2,2-dipropylpropanedioate
CID 166951365
butyl 2-hydroperoxy-2-methylpropanoate
CID 71381107
dipropyl 2-(3-methylbutyl)-2-propan-2-ylpropanedioate
CID 23073622
azane;propyl 2,2-dipropylpentanoate
CID 87112478
propyl 2,2-difluorobutanoate
CID 88537819
2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
CID 123975433
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
CID 88875867

Frequently Asked Questions

What is the IUPAC name of propyl 2-methyl-2-propan-2-yloxypropanoate?
The IUPAC name of propyl 2-methyl-2-propan-2-yloxypropanoate (CID 174484863) is propyl 2-methyl-2-propan-2-yloxypropanoate.
What is the SMILES notation for propyl 2-methyl-2-propan-2-yloxypropanoate?
The canonical SMILES for propyl 2-methyl-2-propan-2-yloxypropanoate is CCCOC(=O)C(C)(C)OC(C)C.
What is the InChIKey of propyl 2-methyl-2-propan-2-yloxypropanoate?
The InChIKey is DTHZOLAKHRYKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-7-12-9(11)10(4,5)13-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of propyl 2-methyl-2-propan-2-yloxypropanoate?
propyl 2-methyl-2-propan-2-yloxypropanoate has a molecular weight of 188.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methyl-2-propan-2-yloxypropanoate is sourced from PubChem (CID 174484863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).