methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C14H24O3Si — CID 10635624

IUPACmethyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESC=CC1(C(=O)OC)CCC(O[Si](C)(C)C)=CC1C
InChIInChI=1S/C14H24O3Si/c1-7-14(13(15)16-3)9-8-12(10-11(14)2)17-18(4,5)6/h7,10-11H,1,8-9H2,2-6H3
InChIKeyHALHBHFNQIPDGM-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.50
Rot. Bonds4

About methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 10635624) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID10635624
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Namemethyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESC=CC1(C(=O)OC)CCC(O[Si](C)(C)C)=CC1C
InChIInChI=1S/C14H24O3Si/c1-7-14(13(15)16-3)9-8-12(10-11(14)2)17-18(4,5)6/h7,10-11H,1,8-9H2,2-6H3
InChIKeyHALHBHFNQIPDGM-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.50
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 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 10635624) is methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is C=CC1(C(=O)OC)CCC(O[Si](C)(C)C)=CC1C.
What is the InChIKey of methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is HALHBHFNQIPDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-14(13(15)16-3)9-8-12(10-11(14)2)17-18(4,5)6/h7,10-11H,1,8-9H2,2-6H3.
What are the key properties of methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 268.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10635624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).