(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol

C15H32O2Si2 — CID 146162036

IUPAC(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h14,16H,9-10,12H2,1-8H3/t14-/m0/s1
InChIKeyHOEJFECDBIZPHV-AWEZNQCLSA-N
MW300.59 g/mol
LogP4.03
Rot. Bonds5

About (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol

(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol (PubChem CID 146162036) has the molecular formula C15H32O2Si2 and a molecular weight of 300.59 g/mol. Its IUPAC name is (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol
PubChem CID146162036
Molecular FormulaC15H32O2Si2
Molecular Weight300.59 g/mol
Exact Mass300.19
IUPAC Name(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C15H32O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h14,16H,9-10,12H2,1-8H3/t14-/m0/s1
InChIKeyHOEJFECDBIZPHV-AWEZNQCLSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 54.03
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

5-((Tert-butyldimethylsilyl)oxy)pentan-2-ol
CID 10998500
5-[Tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 87256832
2-Methyl-2-trimethylsilylnon-3-yn-5-ol
CID 10466273
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-4,7-diyn-6-ol
CID 11235617
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
6-[Tert-butyl(dimethyl)silyl]oxy-1-tri(propan-2-yl)silylhexa-1,4-diyn-3-ol
CID 12027344
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-4-yn-3-ol
CID 46944427
8-{[Tert-butyl(dimethyl)silyl]oxy}-3-octyn-1-OL
CID 99772872
9-[Tert-butyl(dimethyl)silyl]oxynon-5-yn-1-ol
CID 101416409
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 101990485

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol?
The IUPAC name of (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol (CID 146162036) is (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol.
What is the SMILES notation for (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol?
The canonical SMILES for (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol is CC(C)(C)[Si](C)(C)OCCC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol?
The InChIKey is HOEJFECDBIZPHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H32O2Si2/c1-15(2,3)19(7,8)17-12-9-10-14(16)11-13-18(4,5)6/h14,16H,9-10,12H2,1-8H3/t14-/m0/s1.
What are the key properties of (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol?
(3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol has a molecular weight of 300.59 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-yn-3-ol is sourced from PubChem (CID 146162036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).