methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate

C11H22O2Si — CID 10262702

IUPACmethyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate
SMILESC/C=C(\C)[C@@H](CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-9(2)10(14(4,5)6)8-11(12)13-3/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1
InChIKeyVWQVPQFQNGMYHB-TTZKWOQHSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds4

About methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate

methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate (PubChem CID 10262702) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate
PubChem CID10262702
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namemethyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate
SMILESC/C=C(\C)[C@@H](CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-9(2)10(14(4,5)6)8-11(12)13-3/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1
InChIKeyVWQVPQFQNGMYHB-TTZKWOQHSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Methyl 3-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 12563461
ethyl (E)-4-methylhept-4-enoate
CID 15088869
4-Hexenoic acid, 4-methyl-6-(fluorodimethylsilyl)-6-trimethylsilyl-
CID 5366889
cis-5,8,11,14,17-Eicosapentaenoic acid, tert-butyldimethylsilyl ester
CID 91697183
5-Heptenoic acid, 6-methyl-, methyl ester
CID 557455
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
Ethyl (E)-4-methylhex-4-enoate
CID 10888151
methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
CID 11393179
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
Methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
CID 44597122
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate?
The IUPAC name of methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate (CID 10262702) is methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate.
What is the SMILES notation for methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate?
The canonical SMILES for methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate is C/C=C(\C)[C@@H](CC(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate?
The InChIKey is VWQVPQFQNGMYHB-TTZKWOQHSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-9(2)10(14(4,5)6)8-11(12)13-3/h7,10H,8H2,1-6H3/b9-7+/t10-/m1/s1.
What are the key properties of methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate?
methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-4-methyl-3-trimethylsilylhex-4-enoate is sourced from PubChem (CID 10262702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).