tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane

C23H44O3Si — CID 149420818

IUPACtert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](CC)[C@@H](OCOC)/C(C)=C/C
InChIInChI=1S/C23H44O3Si/c1-12-15-21(26-27(10,11)23(6,7)8)19(5)16-20(14-3)22(18(4)13-2)25-17-24-9/h12-13,16,20-22H,1,14-15,17H2,2-11H3/b18-13+,19-16+/t20-,21-,22-/m0/s1
InChIKeyYTCRSCDGRBOGBV-PUEVSVSVSA-N
MW396.69 g/mol
LogP6.88
Rot. Bonds12

About tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane (PubChem CID 149420818) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
PubChem CID149420818
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Nametert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](CC)[C@@H](OCOC)/C(C)=C/C
InChIInChI=1S/C23H44O3Si/c1-12-15-21(26-27(10,11)23(6,7)8)19(5)16-20(14-3)22(18(4)13-2)25-17-24-9/h12-13,16,20-22H,1,14-15,17H2,2-11H3/b18-13+,19-16+/t20-,21-,22-/m0/s1
InChIKeyYTCRSCDGRBOGBV-PUEVSVSVSA-N
XLogP6.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane (CID 149420818) is tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](CC)[C@@H](OCOC)/C(C)=C/C.
What is the InChIKey of tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
The InChIKey is YTCRSCDGRBOGBV-PUEVSVSVSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-12-15-21(26-27(10,11)23(6,7)8)19(5)16-20(14-3)22(18(4)13-2)25-17-24-9/h12-13,16,20-22H,1,14-15,17H2,2-11H3/b18-13+,19-16+/t20-,21-,22-/m0/s1.
What are the key properties of tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane has a molecular weight of 396.69 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 149420818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).