ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate

C17H30Cl2O3Si — CID 24879850

IUPACethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC=C(Cl)Cl
InChIInChI=1S/C17H30Cl2O3Si/c1-8-21-16(20)12-14(13(2)10-9-11-15(18)19)22-23(6,7)17(3,4)5/h10-11,14H,8-9,12H2,1-7H3/b13-10-
InChIKeyNFSYWHAEMPOEFR-RAXLEYEMSA-N
MW381.42 g/mol
LogP5.99
Rot. Bonds8

About ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate

ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate (PubChem CID 24879850) has the molecular formula C17H30Cl2O3Si and a molecular weight of 381.42 g/mol. Its IUPAC name is ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate.

Molecular Properties

Compound Nameethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate
PubChem CID24879850
Molecular FormulaC17H30Cl2O3Si
Molecular Weight381.42 g/mol
Exact Mass380.13
IUPAC Nameethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC=C(Cl)Cl
InChIInChI=1S/C17H30Cl2O3Si/c1-8-21-16(20)12-14(13(2)10-9-11-15(18)19)22-23(6,7)17(3,4)5/h10-11,14H,8-9,12H2,1-7H3/b13-10-
InChIKeyNFSYWHAEMPOEFR-RAXLEYEMSA-N
XLogP5.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.99
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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Related Compounds

(Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trichloro-4-methyloct-4-enoic acid
CID 25104864
ethyl (Z)-7-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trichloro-4-methyloct-4-enoate
CID 134941175
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 57202624
tert-butyl (4E,8E)-3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 139646104

Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate?
The IUPAC name of ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate (CID 24879850) is ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate.
What is the SMILES notation for ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate?
The canonical SMILES for ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate is CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CC=C(Cl)Cl.
What is the InChIKey of ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate?
The InChIKey is NFSYWHAEMPOEFR-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H30Cl2O3Si/c1-8-21-16(20)12-14(13(2)10-9-11-15(18)19)22-23(6,7)17(3,4)5/h10-11,14H,8-9,12H2,1-7H3/b13-10-.
What are the key properties of ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate?
ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate has a molecular weight of 381.42 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-3-[tert-butyl(dimethyl)silyl]oxy-8,8-dichloro-4-methylocta-4,7-dienoate is sourced from PubChem (CID 24879850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).