(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol

C17H34OSi — CID 138980914

IUPAC(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
SMILESCC(C)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCO
InChIInChI=1S/C17H34OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h13-18H,9,11H2,1-8H3/t17-/m1/s1
InChIKeyAPEQGSLAXVQXKE-QGZVFWFLSA-N
MW282.54 g/mol
LogP4.86
Rot. Bonds6

About (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol

(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol (PubChem CID 138980914) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
PubChem CID138980914
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
SMILESCC(C)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCO
InChIInChI=1S/C17H34OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h13-18H,9,11H2,1-8H3/t17-/m1/s1
InChIKeyAPEQGSLAXVQXKE-QGZVFWFLSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2S)-2-methyl-6-(trimethylsilyl)-5-hexyn-1-ol
CID 49837101
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
CID 134860972
2-Methyl-6-trimethylsilylhex-5-yn-1-ol
CID 14141636
9-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxynon-4-yn-1-ol
CID 22164928
[(4S,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581961
[(4R,5R)-4,5-dimethyl-6-tritiooxyhex-1-ynyl]-trimethylsilane
CID 58581981
3-Methyl-7-trimethylsilylhept-6-yn-2-ol
CID 72805357
(3S)-3-methyl-6-trimethylsilylhex-5-yn-1-ol
CID 10442404
(3R,4R)-2-methyl-4-propan-2-yl-6-trimethylsilylhex-5-yn-3-ol
CID 10656884
(2R,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-1-ol
CID 10679483
(3S,4S)-4-methyl-1-tri(propan-2-yl)silylnona-1,6-diyn-3-ol
CID 10935686
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]deca-2,8-diyne-1,10-diol
CID 10957884

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The IUPAC name of (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol (CID 138980914) is (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol.
What is the SMILES notation for (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The canonical SMILES for (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol is CC(C)[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)CCO.
What is the InChIKey of (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
The InChIKey is APEQGSLAXVQXKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(2)17(9-11-18)10-12-19(14(3)4,15(5)6)16(7)8/h13-18H,9,11H2,1-8H3/t17-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol?
(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol has a molecular weight of 282.54 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol is sourced from PubChem (CID 138980914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).