(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol

C17H34O2Si — CID 134860972

IUPAC(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
SMILESC[C@@H](CCC#CCCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h16,18H,9-15H2,1-6H3/t16-/m0/s1
InChIKeyXMEDGTJTMOOYHS-INIZCTEOSA-N
MW298.54 g/mol
LogP4.59
Rot. Bonds8

About (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol

(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol (PubChem CID 134860972) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol.

Molecular Properties

Compound Name(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
PubChem CID134860972
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
SMILESC[C@@H](CCC#CCCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h16,18H,9-15H2,1-6H3/t16-/m0/s1
InChIKeyXMEDGTJTMOOYHS-INIZCTEOSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.59
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

(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 164617863
(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(2S,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 11673678
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-2-yn-1-ol
CID 102055795
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 102227332
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756
tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
CID 134860931
7-[2,3-Dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
CID 134884608
(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 134934598
(3S)-3-propan-2-yl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980914

Frequently Asked Questions

What is the IUPAC name of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol?
The IUPAC name of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol (CID 134860972) is (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol.
What is the SMILES notation for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol?
The canonical SMILES for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol is C[C@@H](CCC#CCCCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol?
The InChIKey is XMEDGTJTMOOYHS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-16(12-10-8-7-9-11-14-18)13-15-19-20(5,6)17(2,3)4/h16,18H,9-15H2,1-6H3/t16-/m0/s1.
What are the key properties of (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol?
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol is sourced from PubChem (CID 134860972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).