2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid

C12H24O6Si — CID 174618110

IUPAC2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid
SMILESCCCC([SiH3])(C(=O)OC)C(OCC)(OCC)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-5-8-11(19,10(15)16-4)12(9(13)14,17-6-2)18-7-3/h5-8H2,1-4,19H3,(H,13,14)
InChIKeyNCENGYFHHLMLNF-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds9

About 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid

2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid (PubChem CID 174618110) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid.

Molecular Properties

Compound Name2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid
PubChem CID174618110
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid
SMILESCCCC([SiH3])(C(=O)OC)C(OCC)(OCC)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-5-8-11(19,10(15)16-4)12(9(13)14,17-6-2)18-7-3/h5-8H2,1-4,19H3,(H,13,14)
InChIKeyNCENGYFHHLMLNF-UHFFFAOYSA-N
XLogP0.34
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxycarbonyl-2-propan-2-ylpentanoic acid
CID 174500981
2-ethoxy-2-propylpentanoic acid
CID 78969603
methyl 2-[(dimethylamino)methyl]-2-propylpentanoate
CID 10846364
2,2-bis(methoxycarbonyl)decanoic acid
CID 137333541
2,2-bis(2-aminoacetyl)-3,3-diethoxybutanedioic acid
CID 135375880
3-O-tert-butyl 1-O-methyl 2-hydroxy-2-propylpropanedioate
CID 154080063
methyl 2-(ethylamino)-2-propylpentanoate
CID 60787868
methyl 2-amino-2-ethylpentanoate
CID 88885307
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 174889693
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid?
The IUPAC name of 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid (CID 174618110) is 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid.
What is the SMILES notation for 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid?
The canonical SMILES for 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid is CCCC([SiH3])(C(=O)OC)C(OCC)(OCC)C(=O)O.
What is the InChIKey of 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid?
The InChIKey is NCENGYFHHLMLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-5-8-11(19,10(15)16-4)12(9(13)14,17-6-2)18-7-3/h5-8H2,1-4,19H3,(H,13,14).
What are the key properties of 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid?
2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid is sourced from PubChem (CID 174618110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).