[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane

C16H32OSi — CID 11402942

IUPAC[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-9-10-11-16(8)12-17-18(13(2)3,14(4)5)15(6)7/h1,13-16H,10-12H2,2-8H3/t16-/m0/s1
InChIKeyCCQPKGHEBNAINK-INIZCTEOSA-N
MW268.52 g/mol
LogP5.23
Rot. Bonds8

About [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane

[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane (PubChem CID 11402942) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
PubChem CID11402942
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Name[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-9-10-11-16(8)12-17-18(13(2)3,14(4)5)15(6)7/h1,13-16H,10-12H2,2-8H3/t16-/m0/s1
InChIKeyCCQPKGHEBNAINK-INIZCTEOSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
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

6-(t-Butyldimethylsilyloxy)-1-hexyne
CID 11009448
2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)pentyloxy-
CID 91736185
Silane, diethylisohexyloxy(2-methylpentyloxy)-
CID 91739179
Silane, diethyldiisohexyloxy-
CID 91739180
Silane, diethyldi(2-methylpentyloxy)-
CID 91739194
tert-butyl-dimethyl-[(3S)-3-methylhept-6-ynoxy]silane
CID 10705243
tert-butyl-dimethyl-[(2S)-2-methylpent-4-ynoxy]silane
CID 11052983
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane (CID 11402942) is [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane is C#CCC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is CCQPKGHEBNAINK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32OSi/c1-9-10-11-16(8)12-17-18(13(2)3,14(4)5)15(6)7/h1,13-16H,10-12H2,2-8H3/t16-/m0/s1.
What are the key properties of [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane?
[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 268.52 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11402942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).