[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane

C20H38OSi — CID 58215527

IUPAC[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@H](C[C@H](C)CC#CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-11-12-13-19(10)14-20(15(2)3)21-22(16(4)5,17(6)7)18(8)9/h16-20H,2,13-14H2,1,3-10H3/t19-,20+/m1/s1
InChIKeyDEAMXEXVBYFTLP-UXHICEINSA-N
MW322.61 g/mol
LogP6.56
Rot. Bonds9

About [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane

[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 58215527) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID58215527
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(C)[C@H](C[C@H](C)CC#CC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-11-12-13-19(10)14-20(15(2)3)21-22(16(4)5,17(6)7)18(8)9/h16-20H,2,13-14H2,1,3-10H3/t19-,20+/m1/s1
InChIKeyDEAMXEXVBYFTLP-UXHICEINSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.56
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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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane (CID 58215527) is [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane is C=C(C)[C@H](C[C@H](C)CC#CC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is DEAMXEXVBYFTLP-UXHICEINSA-N. The full InChI is InChI=1S/C20H38OSi/c1-11-12-13-19(10)14-20(15(2)3)21-22(16(4)5,17(6)7)18(8)9/h16-20H,2,13-14H2,1,3-10H3/t19-,20+/m1/s1.
What are the key properties of [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane?
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58215527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).