ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate

C18H36O5Si — CID 135027340

IUPACethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate
SMILESCCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCC(OC)(OC)CC1
InChIInChI=1S/C18H36O5Si/c1-9-22-15(19)14-17(23-24(7,8)16(2,3)4)10-12-18(20-5,21-6)13-11-17/h9-14H2,1-8H3
InChIKeyNICXDYCEABAMGU-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate

ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate (PubChem CID 135027340) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate
PubChem CID135027340
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Nameethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate
SMILESCCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCC(OC)(OC)CC1
InChIInChI=1S/C18H36O5Si/c1-9-22-15(19)14-17(23-24(7,8)16(2,3)4)10-12-18(20-5,21-6)13-11-17/h9-14H2,1-8H3
InChIKeyNICXDYCEABAMGU-UHFFFAOYSA-N
XLogP4.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate (CID 135027340) is ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate is CCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCC(OC)(OC)CC1.
What is the InChIKey of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate?
The InChIKey is NICXDYCEABAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-9-22-15(19)14-17(23-24(7,8)16(2,3)4)10-12-18(20-5,21-6)13-11-17/h9-14H2,1-8H3.
What are the key properties of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate?
ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate has a molecular weight of 360.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxycyclohexyl]acetate is sourced from PubChem (CID 135027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).