methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate

C17H32O3Si — CID 70262609

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-8-11-17(15(18)19-5)12-9-14(10-13-17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3
InChIKeyGVHHIESLVAXFBD-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds5

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate (PubChem CID 70262609) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate
PubChem CID70262609
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-8-11-17(15(18)19-5)12-9-14(10-13-17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3
InChIKeyGVHHIESLVAXFBD-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate (CID 70262609) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate is C=CCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate?
The InChIKey is GVHHIESLVAXFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-11-17(15(18)19-5)12-9-14(10-13-17)20-21(6,7)16(2,3)4/h8,14H,1,9-13H2,2-7H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohexane-1-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 5 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-1-prop-2-enylcyclohexane-1-carboxylate is sourced from PubChem (CID 70262609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).