methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate

C18H34O3Si — CID 10639863

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-14(17(19)20-5)16(15-11-9-8-10-12-15)13-21-22(6,7)18(2,3)4/h15-16H,1,8-13H2,2-7H3
InChIKeyCFYHGYPHJBSZJJ-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds6

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate (PubChem CID 10639863) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate
PubChem CID10639863
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate
SMILESC=C(C(=O)OC)C(CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-14(17(19)20-5)16(15-11-9-8-10-12-15)13-21-22(6,7)18(2,3)4/h15-16H,1,8-13H2,2-7H3
InChIKeyCFYHGYPHJBSZJJ-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (3Z)-2-(2-cyclohexylethyl)-3-(trimethylsilylmethylidene)butanedioate
CID 134866448
methyl 2-[(1S,2S,4S)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylcyclohexyl]prop-2-enoate
CID 11759621
4-Triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate
CID 59702428
Dibutyl 2-cyclohexyl-3-methylidenebutanedioate
CID 89106432
Methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate
CID 10551301
Methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate
CID 10576918
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
CID 101476822
ethyl (4R)-4-[bromomethyl(dimethyl)silyl]oxy-4-cyclohexyl-2-methylidenebutanoate
CID 101732934

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate (CID 10639863) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate is C=C(C(=O)OC)C(CO[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate?
The InChIKey is CFYHGYPHJBSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-14(17(19)20-5)16(15-11-9-8-10-12-15)13-21-22(6,7)18(2,3)4/h15-16H,1,8-13H2,2-7H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexyl-2-methylidenebutanoate is sourced from PubChem (CID 10639863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).