tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane

C18H38O3Si — CID 11559001

IUPACtert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)[C@@H](CC)OCOC
InChIInChI=1S/C18H38O3Si/c1-11-15(16(12-2)20-13-19-8)17(14(3)4)21-22(9,10)18(5,6)7/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16+,17-/m0/s1
InChIKeyKLWMGJOVRYBCBJ-BBWFWOEESA-N
MW330.59 g/mol
LogP5.38
Rot. Bonds10

About tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane (PubChem CID 11559001) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane
PubChem CID11559001
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Nametert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)[C@@H](CC)OCOC
InChIInChI=1S/C18H38O3Si/c1-11-15(16(12-2)20-13-19-8)17(14(3)4)21-22(9,10)18(5,6)7/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16+,17-/m0/s1
InChIKeyKLWMGJOVRYBCBJ-BBWFWOEESA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.38
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-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane (CID 11559001) is tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)[C@@H](CC)OCOC.
What is the InChIKey of tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is KLWMGJOVRYBCBJ-BBWFWOEESA-N. The full InChI is InChI=1S/C18H38O3Si/c1-11-15(16(12-2)20-13-19-8)17(14(3)4)21-22(9,10)18(5,6)7/h15-17H,3,11-13H2,1-2,4-10H3/t15-,16+,17-/m0/s1.
What are the key properties of tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S,5R)-4-ethyl-5-(methoxymethoxy)-2-methylhept-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11559001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).