[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane

C20H36OSi — CID 101185107

IUPAC[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1CC#CCC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H36OSi/c1-15(2)22(16(3)4,17(5)6)21-20-14-18(7)12-10-9-11-13-19(20)8/h15-17,19-20H,7,11-14H2,1-6,8H3/t19-,20+/m1/s1
InChIKeyAKRPWBJCKICNRB-UXHICEINSA-N
MW320.59 g/mol
LogP6.32
Rot. Bonds5

About [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane

[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101185107) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID101185107
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Name[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane
SMILESC=C1CC#CCC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H36OSi/c1-15(2)22(16(3)4,17(5)6)21-20-14-18(7)12-10-9-11-13-19(20)8/h15-17,19-20H,7,11-14H2,1-6,8H3/t19-,20+/m1/s1
InChIKeyAKRPWBJCKICNRB-UXHICEINSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-5-dimethyloctylsilyloxynon-1-en-3-yne
CID 531299
2,6-Dimethyl-5-dimethyldodecylsilyloxynon-1-en-3-yne
CID 531349
tert-butyl-[(E,3R,4S,6R,7S)-1-iodo-2,3,7-trimethyl-6-triethylsilyloxydec-1-en-8-yn-4-yl]oxy-dimethylsilane
CID 72374790
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
4-Methoxy-2-methyl-3-trimethylsilylmethyl-1-undecene
CID 101635033
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 58420717
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 157359661
tert-butyl-[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 162140627
Tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
CID 11000465
Tert-butyl-dimethyl-(2,5,5-trimethyloct-1-en-7-yn-4-yloxy)silane
CID 11011416

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane (CID 101185107) is [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane is C=C1CC#CCC[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-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is AKRPWBJCKICNRB-UXHICEINSA-N. The full InChI is InChI=1S/C20H36OSi/c1-15(2)22(16(3)4,17(5)6)21-20-14-18(7)12-10-9-11-13-19(20)8/h15-17,19-20H,7,11-14H2,1-6,8H3/t19-,20+/m1/s1.
What are the key properties of [(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane?
[(1S,2R)-2-methyl-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 320.59 g/mol, XLogP of 6.32, 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-8-methylidenecyclonon-5-yn-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101185107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).