[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane

C20H38OSi — CID 11427268

IUPAC[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESC/C=C(\C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3/b19-11+
InChIKeySPNXEJPNRJFGLS-YBFXNURJSA-N
MW322.61 g/mol
LogP6.91
Rot. Bonds8

About [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane

[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane (PubChem CID 11427268) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane
PubChem CID11427268
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane
SMILESC/C=C(\C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3/b19-11+
InChIKeySPNXEJPNRJFGLS-YBFXNURJSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.91
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

[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 10786952
tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
CID 11085963
4-(2-Methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
CID 11324238
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
2-(Cyclohexen-1-yl)ethynoxy-tri(propan-2-yl)silane
CID 101766695
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
CID 134977778
[(5S)-5,9-dimethyldec-8-en-1-ynyl]-trimethylsilane
CID 134995059
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
CID 135002116
Tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
CID 154719685

Frequently Asked Questions

What is the IUPAC name of [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane (CID 11427268) is [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane is C/C=C(\C)CC(C#CO[Si](C(C)C)(C(C)C)C(C)C)CCC.
What is the InChIKey of [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is SPNXEJPNRJFGLS-YBFXNURJSA-N. The full InChI is InChI=1S/C20H38OSi/c1-10-12-20(15-19(9)11-2)13-14-21-22(16(3)4,17(5)6)18(7)8/h11,16-18,20H,10,12,15H2,1-9H3/b19-11+.
What are the key properties of [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane?
[(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-methyl-3-propylhept-5-en-1-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11427268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).