2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate

C18H38O4Si2 — CID 123348865

IUPAC2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=CCCO)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-18(2,3)24(7,8)22-16(11-9-10-12-19)15-17(20)21-13-14-23(4,5)6/h9,11,16,19H,10,12-15H2,1-8H3/t16-/m1/s1
InChIKeyUIHAPZCRCXYTKF-MRXNPFEDSA-N
MW374.67 g/mol
LogP4.59
Rot. Bonds10

About 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate

2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate (PubChem CID 123348865) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate
PubChem CID123348865
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=CCCO)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-18(2,3)24(7,8)22-16(11-9-10-12-19)15-17(20)21-13-14-23(4,5)6/h9,11,16,19H,10,12-15H2,1-8H3/t16-/m1/s1
InChIKeyUIHAPZCRCXYTKF-MRXNPFEDSA-N
XLogP4.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate?
The IUPAC name of 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate (CID 123348865) is 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate.
What is the SMILES notation for 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate?
The canonical SMILES for 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate is CC(C)(C)[Si](C)(C)O[C@H](C=CCCO)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate?
The InChIKey is UIHAPZCRCXYTKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-18(2,3)24(7,8)22-16(11-9-10-12-19)15-17(20)21-13-14-23(4,5)6/h9,11,16,19H,10,12-15H2,1-8H3/t16-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate?
2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate has a molecular weight of 374.67 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-4-enoate is sourced from PubChem (CID 123348865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).