methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate

C13H26O3Si — CID 175063682

IUPACmethyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate
SMILESCOC(=O)C(CCC(C)C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H26O3Si/c1-10(2)6-7-11(12(14)15-3)13(17)8-4-5-9-16-13/h10-11H,4-9H2,1-3,17H3
InChIKeyBAUNBZCJCBLBLZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.47
Rot. Bonds5

About methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate

methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate (PubChem CID 175063682) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate
PubChem CID175063682
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate
SMILESCOC(=O)C(CCC(C)C)C1([SiH3])CCCCO1
InChIInChI=1S/C13H26O3Si/c1-10(2)6-7-11(12(14)15-3)13(17)8-4-5-9-16-13/h10-11H,4-9H2,1-3,17H3
InChIKeyBAUNBZCJCBLBLZ-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-propan-2-yloxan-2-yl)silane
CID 123630971
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
1-(5-methylhexan-2-yl)cycloheptane-1-carboxylic acid
CID 56985098
ethyl N-[(2-silyloxan-2-yl)methyl]carbamate
CID 175525267
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(1-methoxycyclohexyl)-5-methylhexan-1-one
CID 116748157
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
CID 63055400
[2-(1-prop-1-enoxybutyl)oxan-2-yl]silane
CID 123659306
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate?
The IUPAC name of methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate (CID 175063682) is methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate.
What is the SMILES notation for methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate?
The canonical SMILES for methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate is COC(=O)C(CCC(C)C)C1([SiH3])CCCCO1.
What is the InChIKey of methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate?
The InChIKey is BAUNBZCJCBLBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10(2)6-7-11(12(14)15-3)13(17)8-4-5-9-16-13/h10-11H,4-9H2,1-3,17H3.
What are the key properties of methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate?
methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate has a molecular weight of 258.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(2-silyloxan-2-yl)hexanoate is sourced from PubChem (CID 175063682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).