2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol

C15H26O2Si — CID 101100807

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol
SMILESC#CCC(CO)(CC#C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-8-10-15(12-16,11-9-2)13-17-18(6,7)14(3,4)5/h1-2,16H,10-13H2,3-7H3
InChIKeyZMCYFUKKUGHQNS-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.03
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol (PubChem CID 101100807) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol
PubChem CID101100807
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol
SMILESC#CCC(CO)(CC#C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-8-10-15(12-16,11-9-2)13-17-18(6,7)14(3,4)5/h1-2,16H,10-13H2,3-7H3
InChIKeyZMCYFUKKUGHQNS-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.03
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'}

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-1-yn-3-ol
CID 134972323
Trimethyl-[2-prop-2-ynyl-2-(trimethylsilyloxymethyl)pent-4-ynoxy]silane
CID 15422253
3-(tert-Butyldimethylsilyl)oxy-2,2-dimethylhex-5-yn-1-ol
CID 10923160
2-(((tert-Butyldimethylsilyl)oxy)methyl)-2-ethylbutan-1-ol
CID 19599358
[1-(3-Trimethylsilanyl-prop-2-ynyl)-cyclopropyl]-methanol
CID 69461118
3,3-Dimethyl-6-trimethylsilylhex-5-yn-1-ol
CID 10512181
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylpent-4-yn-2-ol
CID 10857669
(3R)-3-methyl-3-tri(propan-2-yl)silyloxypent-4-yn-1-ol
CID 10923626
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-1-yn-3-ol
CID 10988467
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhept-5-yn-1-ol
CID 11254248
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol (CID 101100807) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol is C#CCC(CO)(CC#C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol?
The InChIKey is ZMCYFUKKUGHQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-8-10-15(12-16,11-9-2)13-17-18(6,7)14(3,4)5/h1-2,16H,10-13H2,3-7H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol has a molecular weight of 266.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-yn-1-ol is sourced from PubChem (CID 101100807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).