trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane

C15H31Cl3O2Si2 — CID 11682893

IUPACtrichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31Cl3O2Si2/c1-9-15(20-22(16,17)18)14(8)10-19-21(11(2)3,12(4)5)13(6)7/h9,11-14H,10H2,1-8H3/b15-9-/t14-/m0/s1
InChIKeyALRNXJXZZKUISC-BUYRESAOSA-N
MW405.94 g/mol
LogP6.89
Rot. Bonds9

About trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane

trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane (PubChem CID 11682893) has the molecular formula C15H31Cl3O2Si2 and a molecular weight of 405.94 g/mol. Its IUPAC name is trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane.

Molecular Properties

Compound Nametrichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane
PubChem CID11682893
Molecular FormulaC15H31Cl3O2Si2
Molecular Weight405.94 g/mol
Exact Mass404.09
IUPAC Nametrichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane
SMILESC/C=C(\O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31Cl3O2Si2/c1-9-15(20-22(16,17)18)14(8)10-19-21(11(2)3,12(4)5)13(6)7/h9,11-14H,10H2,1-8H3/b15-9-/t14-/m0/s1
InChIKeyALRNXJXZZKUISC-BUYRESAOSA-N
XLogP6.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.94
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane?
The IUPAC name of trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane (CID 11682893) is trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane.
What is the SMILES notation for trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane?
The canonical SMILES for trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane is C/C=C(\O[Si](Cl)(Cl)Cl)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane?
The InChIKey is ALRNXJXZZKUISC-BUYRESAOSA-N. The full InChI is InChI=1S/C15H31Cl3O2Si2/c1-9-15(20-22(16,17)18)14(8)10-19-21(11(2)3,12(4)5)13(6)7/h9,11-14H,10H2,1-8H3/b15-9-/t14-/m0/s1.
What are the key properties of trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane?
trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane has a molecular weight of 405.94 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(Z,4S)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-en-3-yl]oxysilane is sourced from PubChem (CID 11682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).