(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol

C16H32O2Si2 — CID 146162881

IUPAC(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-12-15(17)11-9-10-14-19(4,5)6/h9,11,15,17H,12-13H2,1-8H3/b11-9-/t15-/m1/s1
InChIKeyRIDVMRIEUXBFCT-ZHUYAKLQSA-N
MW312.60 g/mol
LogP4.20
Rot. Bonds5

About (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol

(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol (PubChem CID 146162881) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol
PubChem CID146162881
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Name(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-12-15(17)11-9-10-14-19(4,5)6/h9,11,15,17H,12-13H2,1-8H3/b11-9-/t15-/m1/s1
InChIKeyRIDVMRIEUXBFCT-ZHUYAKLQSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol?
The IUPAC name of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol (CID 146162881) is (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol.
What is the SMILES notation for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol?
The canonical SMILES for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol is CC(C)(C)[Si](C)(C)OCC[C@H](O)/C=C\C#C[Si](C)(C)C.
What is the InChIKey of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol?
The InChIKey is RIDVMRIEUXBFCT-ZHUYAKLQSA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-13-12-15(17)11-9-10-14-19(4,5)6/h9,11,15,17H,12-13H2,1-8H3/b11-9-/t15-/m1/s1.
What are the key properties of (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol?
(Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol has a molecular weight of 312.60 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-4-en-6-yn-3-ol is sourced from PubChem (CID 146162881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).