[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate

C10H18O4 — CID 167154058

IUPAC[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate
SMILESCC(C)(C=O)OCCC(C)(C)OC=O
InChIInChI=1S/C10H18O4/c1-9(2,14-8-12)5-6-13-10(3,4)7-11/h7-8H,5-6H2,1-4H3
InChIKeyTXTGDNQYGNELAM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.32
Rot. Bonds7

About [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate

[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate (PubChem CID 167154058) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate.

Molecular Properties

Compound Name[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate
PubChem CID167154058
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate
SMILESCC(C)(C=O)OCCC(C)(C)OC=O
InChIInChI=1S/C10H18O4/c1-9(2,14-8-12)5-6-13-10(3,4)7-11/h7-8H,5-6H2,1-4H3
InChIKeyTXTGDNQYGNELAM-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylhexan-2-yl formate
CID 58262638
2-(3,3-difluorobutoxy)propan-2-yl formate
CID 140677265
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432
4-(4-amino-2-methylbutan-2-yl)oxy-2,2-dimethylbutanal
CID 155257512
2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
CID 140995849
2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal
CID 135079183
2-amino-2-(3,3-dimethylbutoxy)propanal
CID 174246951
tert-butyl formate;1,2-dimethoxyethane
CID 174865662
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
methyl 3-formyloxy-3-methylbutanoate
CID 22368434
tert-butyl formate;ethane
CID 175326717
[2-methyl-1-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]propan-2-yl] formate
CID 155131024

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate?
The IUPAC name of [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate (CID 167154058) is [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate.
What is the SMILES notation for [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate?
The canonical SMILES for [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate is CC(C)(C=O)OCCC(C)(C)OC=O.
What is the InChIKey of [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate?
The InChIKey is TXTGDNQYGNELAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,14-8-12)5-6-13-10(3,4)7-11/h7-8H,5-6H2,1-4H3.
What are the key properties of [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate?
[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate has a molecular weight of 202.25 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate is sourced from PubChem (CID 167154058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).