ethyl 2-(trimethylsilylmethyl)hexanoate

C12H26O2Si — CID 10014095

IUPACethyl 2-(trimethylsilylmethyl)hexanoate
SMILESCCCCC(C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H26O2Si/c1-6-8-9-11(10-15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3
InChIKeyZCYMPYBMUUQBGQ-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.69
Rot. Bonds7

About ethyl 2-(trimethylsilylmethyl)hexanoate

ethyl 2-(trimethylsilylmethyl)hexanoate (PubChem CID 10014095) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is ethyl 2-(trimethylsilylmethyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(trimethylsilylmethyl)hexanoate
PubChem CID10014095
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nameethyl 2-(trimethylsilylmethyl)hexanoate
SMILESCCCCC(C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C12H26O2Si/c1-6-8-9-11(10-15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3
InChIKeyZCYMPYBMUUQBGQ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.69
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

carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-(2-bromoethyl)hexanoate
CID 19911410
ethyl 2-(2,3-dihydroxypropyl)hexanoate
CID 67260046
ethyl 2-ethyldocosanoate
CID 175304380
butyl 2-butylhexanoate;stannane
CID 172996715
diethyl 2-octylbutanedioate
CID 15054026
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
ethyl 2-methylhexanoate
CID 12714009
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
tetradecyl 2-butylhexanoate
CID 91318887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trimethylsilylmethyl)hexanoate?
The IUPAC name of ethyl 2-(trimethylsilylmethyl)hexanoate (CID 10014095) is ethyl 2-(trimethylsilylmethyl)hexanoate.
What is the SMILES notation for ethyl 2-(trimethylsilylmethyl)hexanoate?
The canonical SMILES for ethyl 2-(trimethylsilylmethyl)hexanoate is CCCCC(C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(trimethylsilylmethyl)hexanoate?
The InChIKey is ZCYMPYBMUUQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-8-9-11(10-15(3,4)5)12(13)14-7-2/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(trimethylsilylmethyl)hexanoate?
ethyl 2-(trimethylsilylmethyl)hexanoate has a molecular weight of 230.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trimethylsilylmethyl)hexanoate is sourced from PubChem (CID 10014095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).