[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane

C18H32OSi — CID 11753492

IUPAC[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C18H32OSi/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8/h13-15,17-18H,7,11-12H2,1-6,8H3/t17-,18+/m1/s1
InChIKeyHYQNETZEAOFTRT-MSOLQXFVSA-N
MW292.54 g/mol
LogP5.54
Rot. Bonds5

About [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane

[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11753492) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID11753492
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C18H32OSi/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8/h13-15,17-18H,7,11-12H2,1-6,8H3/t17-,18+/m1/s1
InChIKeyHYQNETZEAOFTRT-MSOLQXFVSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.54
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

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
2,7-Dimethyl-4-dimethyloctylsilyloxyoct-7-en-5-yne
CID 531298
2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2,7-Dimethyl-4-trihexylsilyloxyoct-7-en-5-yne
CID 531319
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
2,7-Dimethyl-4-dimethyldodecylsilyloxyoct-7-en-5-yne
CID 531348
2,6-Dimethyl-5-dimethyldodecylsilyloxynon-1-en-3-yne
CID 531349
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
2,6-Dimethyl-5-tributylsilyloxynon-1-en-3-yne
CID 531339
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
CID 15672916

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane (CID 11753492) is [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane is C=C1C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HYQNETZEAOFTRT-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H32OSi/c1-13(2)20(14(3)4,15(5)6)19-18-12-16(7)10-9-11-17(18)8/h13-15,17-18H,7,11-12H2,1-6,8H3/t17-,18+/m1/s1.
What are the key properties of [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane?
[(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 292.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methyl-6-methylidenecyclohept-4-yn-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11753492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).