2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate

C13H26O4 — CID 123886318

IUPAC2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
SMILESCOC(C)(C)C(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C13H26O4/c1-10(2)16-8-9-17-11(14)12(3,4)13(5,6)15-7/h10H,8-9H2,1-7H3
InChIKeyCCFBEEGCMUHKDP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds7

About 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate

2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate (PubChem CID 123886318) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
PubChem CID123886318
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
SMILESCOC(C)(C)C(C)(C)C(=O)OCCOC(C)C
InChIInChI=1S/C13H26O4/c1-10(2)16-8-9-17-11(14)12(3,4)13(5,6)15-7/h10H,8-9H2,1-7H3
InChIKeyCCFBEEGCMUHKDP-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837
2-propan-2-yloxyethyl 2-[4-[1-(2-butan-2-yloxyethoxy)-2-methyl-1-oxopropan-2-yl]oxybutoxy]-2-methylpropanoate
CID 123975433
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256
2-propan-2-yloxyethyl N,N-dimethylcarbamate
CID 172528660
2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
CID 106109479
2-propan-2-yloxyethyl 2-methyl-2-(2,2,4,4-tetramethylheptoxy)propanoate
CID 135188610
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
2-[4-[5-(3,3-dimethyl-5-propan-2-yloxypentan-2-yl)oxy-2,3,3-trimethylhexan-2-yl]oxy-2-methylbutan-2-yl]oxyethyl 2,2-dimethylpropanoate
CID 139382572
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
3,3-dimethyl-1-(2-propan-2-yloxyethoxy)butan-2-one
CID 43799168

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate?
The IUPAC name of 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate (CID 123886318) is 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate is COC(C)(C)C(C)(C)C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate?
The InChIKey is CCFBEEGCMUHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-10(2)16-8-9-17-11(14)12(3,4)13(5,6)15-7/h10H,8-9H2,1-7H3.
What are the key properties of 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate?
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate has a molecular weight of 246.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate is sourced from PubChem (CID 123886318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).