(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol

C18H38O3Si2 — CID 132938699

IUPAC(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-18(2,3)23(7,8)20-14-12-10-9-11-13-15(19)16-17(21-16)22(4,5)6/h9,11,15-17,19H,10,12-14H2,1-8H3/b11-9-/t15-,16-,17-/m0/s1
InChIKeyMVPXMTAKASKVGI-OCWZIBQQSA-N
MW358.67 g/mol
LogP4.74
Rot. Bonds9

About (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol

(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol (PubChem CID 132938699) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol
PubChem CID132938699
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Name(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C18H38O3Si2/c1-18(2,3)23(7,8)20-14-12-10-9-11-13-15(19)16-17(21-16)22(4,5)6/h9,11,15-17,19H,10,12-14H2,1-8H3/b11-9-/t15-,16-,17-/m0/s1
InChIKeyMVPXMTAKASKVGI-OCWZIBQQSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol?
The IUPAC name of (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol (CID 132938699) is (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol.
What is the SMILES notation for (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol?
The canonical SMILES for (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol is CC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol?
The InChIKey is MVPXMTAKASKVGI-OCWZIBQQSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-18(2,3)23(7,8)20-14-12-10-9-11-13-15(19)16-17(21-16)22(4,5)6/h9,11,15-17,19H,10,12-14H2,1-8H3/b11-9-/t15-,16-,17-/m0/s1.
What are the key properties of (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol?
(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol has a molecular weight of 358.67 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol is sourced from PubChem (CID 132938699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).