methoxymethyl 2,3,3-trimethyl-2-propylpentanoate

C13H26O3 — CID 121480979

IUPACmethoxymethyl 2,3,3-trimethyl-2-propylpentanoate
SMILESCCCC(C)(C(=O)OCOC)C(C)(C)CC
InChIInChI=1S/C13H26O3/c1-7-9-13(5,12(3,4)8-2)11(14)16-10-15-6/h7-10H2,1-6H3
InChIKeyREJXUKYTRLBBIV-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.38
Rot. Bonds7

About methoxymethyl 2,3,3-trimethyl-2-propylpentanoate

methoxymethyl 2,3,3-trimethyl-2-propylpentanoate (PubChem CID 121480979) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is methoxymethyl 2,3,3-trimethyl-2-propylpentanoate.

Molecular Properties

Compound Namemethoxymethyl 2,3,3-trimethyl-2-propylpentanoate
PubChem CID121480979
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Namemethoxymethyl 2,3,3-trimethyl-2-propylpentanoate
SMILESCCCC(C)(C(=O)OCOC)C(C)(C)CC
InChIInChI=1S/C13H26O3/c1-7-9-13(5,12(3,4)8-2)11(14)16-10-15-6/h7-10H2,1-6H3
InChIKeyREJXUKYTRLBBIV-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxymethyl 2,2-dimethylbutanoate
CID 18731138
butyl 2-ethyl-2,3,3-trimethylpentanoate
CID 166864152
acetyloxymethyl 2-ethyl-2-methylpentanoate
CID 161331360
methane;methyl 2-ethyl-2,3,3-trimethylpentanoate
CID 161314197
methane;methoxymethyl butanoate
CID 159855538
methyl 2-amino-2-ethylpentanoate
CID 88885307
4-aminooxy-3,4-dimethyl-3-propylhexan-2-one
CID 163766830
2-ethyl-2-methylpentanamide
CID 22376566
1-O-(2,2,3,3,3-pentafluoropropyl) 3-O-[[2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoyl]oxymethyl] propanedioate
CID 88895102
1-O-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 3-O-[[2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoyl]oxymethyl] propanedioate
CID 89467626
2,2,2-trifluoroethyl 2-ethyl-2-methylpentanoate
CID 139362815
methyl 2,4-dimethyl-2-(2-methylbutan-2-yl)-4-sulfanylhexanoate
CID 90212477

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2,3,3-trimethyl-2-propylpentanoate?
The IUPAC name of methoxymethyl 2,3,3-trimethyl-2-propylpentanoate (CID 121480979) is methoxymethyl 2,3,3-trimethyl-2-propylpentanoate.
What is the SMILES notation for methoxymethyl 2,3,3-trimethyl-2-propylpentanoate?
The canonical SMILES for methoxymethyl 2,3,3-trimethyl-2-propylpentanoate is CCCC(C)(C(=O)OCOC)C(C)(C)CC.
What is the InChIKey of methoxymethyl 2,3,3-trimethyl-2-propylpentanoate?
The InChIKey is REJXUKYTRLBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-7-9-13(5,12(3,4)8-2)11(14)16-10-15-6/h7-10H2,1-6H3.
What are the key properties of methoxymethyl 2,3,3-trimethyl-2-propylpentanoate?
methoxymethyl 2,3,3-trimethyl-2-propylpentanoate has a molecular weight of 230.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2,3,3-trimethyl-2-propylpentanoate is sourced from PubChem (CID 121480979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).