tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate

C16H32O4 — CID 88982761

IUPACtert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
SMILESCOC(C)(C)CCOC(C)(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4/c1-14(2,3)20-13(17)9-10-16(6,7)19-12-11-15(4,5)18-8/h9-12H2,1-8H3
InChIKeyJDHBRNLOLNUIDL-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds8

About tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate

tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate (PubChem CID 88982761) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
PubChem CID88982761
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Nametert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
SMILESCOC(C)(C)CCOC(C)(C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4/c1-14(2,3)20-13(17)9-10-16(6,7)19-12-11-15(4,5)18-8/h9-12H2,1-8H3
InChIKeyJDHBRNLOLNUIDL-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentanoyl]amino]butoxy]carbamate
CID 142997826
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
CID 89073210
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
ditert-butyl pentanedioate
CID 3016405
3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane
CID 167212382
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
4-(3-methoxy-3-methylbutoxy)-4-methylpent-1-yne
CID 130389054

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate?
The IUPAC name of tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate (CID 88982761) is tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate?
The canonical SMILES for tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate is COC(C)(C)CCOC(C)(C)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate?
The InChIKey is JDHBRNLOLNUIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-14(2,3)20-13(17)9-10-16(6,7)19-12-11-15(4,5)18-8/h9-12H2,1-8H3.
What are the key properties of tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate?
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate has a molecular weight of 288.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate is sourced from PubChem (CID 88982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).