ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate

C19H34O3Si — CID 135068712

IUPACethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate
SMILESC=C1CC(C)(C)CC(O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC
InChIInChI=1S/C19H34O3Si/c1-10-21-17(20)11-15-14(2)12-19(6,7)13-16(15)22-23(8,9)18(3,4)5/h11,16H,2,10,12-13H2,1,3-9H3/b15-11-
InChIKeyVUTJFJPWLHAARX-PTNGSMBKSA-N
MW338.56 g/mol
LogP5.24
Rot. Bonds4

About ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate

ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate (PubChem CID 135068712) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate
PubChem CID135068712
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Nameethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate
SMILESC=C1CC(C)(C)CC(O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC
InChIInChI=1S/C19H34O3Si/c1-10-21-17(20)11-15-14(2)12-19(6,7)13-16(15)22-23(8,9)18(3,4)5/h11,16H,2,10,12-13H2,1,3-9H3/b15-11-
InChIKeyVUTJFJPWLHAARX-PTNGSMBKSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.24
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate (CID 135068712) is ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate is C=C1CC(C)(C)CC(O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate?
The InChIKey is VUTJFJPWLHAARX-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-10-21-17(20)11-15-14(2)12-19(6,7)13-16(15)22-23(8,9)18(3,4)5/h11,16H,2,10,12-13H2,1,3-9H3/b15-11-.
What are the key properties of ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate?
ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate has a molecular weight of 338.56 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate is sourced from PubChem (CID 135068712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).