methyl 4-(trimethylsilylmethyl)hexanoate

C11H24O2Si — CID 14712721

IUPACmethyl 4-(trimethylsilylmethyl)hexanoate
SMILESCCC(CCC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-10(9-14(3,4)5)7-8-11(12)13-2/h10H,6-9H2,1-5H3
InChIKeyPFEYKMFTCBOWMU-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.30
Rot. Bonds6

About methyl 4-(trimethylsilylmethyl)hexanoate

methyl 4-(trimethylsilylmethyl)hexanoate (PubChem CID 14712721) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is methyl 4-(trimethylsilylmethyl)hexanoate.

Molecular Properties

Compound Namemethyl 4-(trimethylsilylmethyl)hexanoate
PubChem CID14712721
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-(trimethylsilylmethyl)hexanoate
SMILESCCC(CCC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-6-10(9-14(3,4)5)7-8-11(12)13-2/h10H,6-9H2,1-5H3
InChIKeyPFEYKMFTCBOWMU-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R)-4-ethyl-6-hydroxyhexanoate
CID 118890197
9-ethyl-12-methoxy-12-oxododecanoic acid
CID 154345459
methyl 4-pentylnonanoate
CID 177137762
methyl (4S)-4-aminohexanoate
CID 130019319
dimethyl 4-nonylheptanedioate
CID 168749478
methyl 4,5-dibutylnonanoate
CID 166001971
methyl (6S)-6-ethyl-8-hydroxyoctanoate
CID 118889774
dimethyl 4-methylheptanedioate
CID 521222
methyl (4R)-4-formylhexanoate
CID 12728710
methyl 4-cyanohexanoate
CID 13096120
methyl 4-[(2-fluorophenyl)methyl]hexanoate
CID 174497921
methyl 4-(dimethylamino)-4-(oxan-4-yl)butanoate
CID 116910321

Frequently Asked Questions

What is the IUPAC name of methyl 4-(trimethylsilylmethyl)hexanoate?
The IUPAC name of methyl 4-(trimethylsilylmethyl)hexanoate (CID 14712721) is methyl 4-(trimethylsilylmethyl)hexanoate.
What is the SMILES notation for methyl 4-(trimethylsilylmethyl)hexanoate?
The canonical SMILES for methyl 4-(trimethylsilylmethyl)hexanoate is CCC(CCC(=O)OC)C[Si](C)(C)C.
What is the InChIKey of methyl 4-(trimethylsilylmethyl)hexanoate?
The InChIKey is PFEYKMFTCBOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-6-10(9-14(3,4)5)7-8-11(12)13-2/h10H,6-9H2,1-5H3.
What are the key properties of methyl 4-(trimethylsilylmethyl)hexanoate?
methyl 4-(trimethylsilylmethyl)hexanoate has a molecular weight of 216.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(trimethylsilylmethyl)hexanoate is sourced from PubChem (CID 14712721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).