[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane

C17H34OSi — CID 134845952

IUPAC[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,14-17H,10-13H2,2-8H3/t17-/m0/s1
InChIKeyQWSCHINVKKXOFE-KRWDZBQOSA-N
MW282.54 g/mol
LogP5.62
Rot. Bonds9

About [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane

[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane (PubChem CID 134845952) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane
PubChem CID134845952
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,14-17H,10-13H2,2-8H3/t17-/m0/s1
InChIKeyQWSCHINVKKXOFE-KRWDZBQOSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91737493
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
Silane, diethylhexyloxyisohexyloxy-
CID 91739184
Silane, diethylhexyloxy(2-methylpentyloxy)-
CID 91739188
t-Butyldimethyl(undec-10-ynyloxy)silane
CID 554415
tert-butyl-dimethyl-[(3S)-3-methylhept-6-ynoxy]silane
CID 10705243
[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
CID 11402942
Tert-butyl-dimethyl-(2-methylhept-6-ynoxy)silane
CID 72961047
1-t-Butyldimethylsilyloxydodec-11-yne
CID 129776312
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane (CID 134845952) is [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane is C#CCCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is QWSCHINVKKXOFE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34OSi/c1-9-10-11-12-17(8)13-18-19(14(2)3,15(4)5)16(6)7/h1,14-17H,10-13H2,2-8H3/t17-/m0/s1.
What are the key properties of [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane?
[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 282.54 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134845952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).