(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol

C16H34O2Si2 — CID 146161464

IUPAC(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h15,17H,9-11,13H2,1-8H3/t15-/m0/s1
InChIKeyBRZDBBZCMRQHGF-HNNXBMFYSA-N
MW314.62 g/mol
LogP4.42
Rot. Bonds6

About (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol

(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol (PubChem CID 146161464) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
PubChem CID146161464
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Name(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h15,17H,9-11,13H2,1-8H3/t15-/m0/s1
InChIKeyBRZDBBZCMRQHGF-HNNXBMFYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Trimethylsilylhept-6-yne-1,5-diol
CID 23240932
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(3S,7R)-1,9-bis(trimethylsilyl)nona-1,8-diyne-3,5,7-triol
CID 15142640
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(5r,6r)-1,6-Di-t-butyldimethylsiloxy-5-hydroxyheptadec-2-yne
CID 129776450
(2r,14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866121
(14r)-2-Hydroxy-14-(t-butyldimethylsilyloxy)-8-heptadecyne
CID 129866468

Frequently Asked Questions

What is the IUPAC name of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol?
The IUPAC name of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol (CID 146161464) is (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol.
What is the SMILES notation for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol?
The canonical SMILES for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol is CC(C)(C)[Si](C)(C)OCCCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol?
The InChIKey is BRZDBBZCMRQHGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-16(2,3)20(7,8)18-13-10-9-11-15(17)12-14-19(4,5)6/h15,17H,9-11,13H2,1-8H3/t15-/m0/s1.
What are the key properties of (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol?
(3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol has a molecular weight of 314.62 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhept-1-yn-3-ol is sourced from PubChem (CID 146161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).