ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate

C14H28O3Si — CID 142654576

IUPACethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate
SMILESC=C(CC(O)CCCC(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-6-17-14(16)9-7-8-13(15)10-12(2)11-18(3,4)5/h13,15H,2,6-11H2,1,3-5H3
InChIKeyGTOJMSODUSUKRL-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.37
Rot. Bonds9

About ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate

ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate (PubChem CID 142654576) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate
PubChem CID142654576
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate
SMILESC=C(CC(O)CCCC(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C14H28O3Si/c1-6-17-14(16)9-7-8-13(15)10-12(2)11-18(3,4)5/h13,15H,2,6-11H2,1,3-5H3
InChIKeyGTOJMSODUSUKRL-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (5R)-5-hydroxy-3-methylidenedecanoate
CID 66552452
Methyl (5s)-5-hydroxy-3-methylidenedecanoate
CID 72735314
Methyl 3-{(2r)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129744158
Methyl 3-{(2s)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129750970
Methyl 3-[(2s)-2-{[t-butyl(dimethyl)silyl]oxy}-tridecyl]but-3-enoate
CID 129758635
Ethyl 5-hydroxy-6-methylhept-6-enoate
CID 54213125
5-Hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
CID 142660480
2-Methylidene-4-(oxan-2-yl)-4-triethylsilylbutanoic acid
CID 175010166
6-Heptenoic acid, 5-hydroxy-6-methyl-, ethyl ester, (S)-
CID 10987000
methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
CID 71489977
methyl (5S)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
CID 71489978
Ethyl 2-(5-hydroxycyclohexen-1-yl)acetate
CID 101067435

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate?
The IUPAC name of ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate (CID 142654576) is ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate.
What is the SMILES notation for ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate?
The canonical SMILES for ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate is C=C(CC(O)CCCC(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate?
The InChIKey is GTOJMSODUSUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-6-17-14(16)9-7-8-13(15)10-12(2)11-18(3,4)5/h13,15H,2,6-11H2,1,3-5H3.
What are the key properties of ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate?
ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate is sourced from PubChem (CID 142654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).