methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane

C22H36O3Si — CID 173401734

IUPACmethyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane
SMILESCC=CC(O[Si](C)(OC(C=CC)=C(C)C)OC(C=CC)=C(C)C)=C(C)C
InChIInChI=1S/C22H36O3Si/c1-11-14-20(17(4)5)23-26(10,24-21(15-12-2)18(6)7)25-22(16-13-3)19(8)9/h11-16H,1-10H3
InChIKeyYWMBDWISYMTSFF-UHFFFAOYSA-N
MW376.61 g/mol
LogP7.21
Rot. Bonds9

About methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane

methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane (PubChem CID 173401734) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane.

Molecular Properties

Compound Namemethyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane
PubChem CID173401734
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Namemethyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane
SMILESCC=CC(O[Si](C)(OC(C=CC)=C(C)C)OC(C=CC)=C(C)C)=C(C)C
InChIInChI=1S/C22H36O3Si/c1-11-14-20(17(4)5)23-26(10,24-21(15-12-2)18(6)7)25-22(16-13-3)19(8)9/h11-16H,1-10H3
InChIKeyYWMBDWISYMTSFF-UHFFFAOYSA-N
XLogP7.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
CID 163787283
(2Z,4E,6Z)-4-ethoxy-5-methylocta-2,4,6-triene
CID 143146513
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
trimethylsilyl N-(2-methylpenta-1,3-dienyl)ethanimidate
CID 91435960
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
2-chloro-3-propan-2-yloxyhexa-2,4-diene
CID 123282119
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(E)-1-trimethylsilylbut-2-en-1-one
CID 13446369
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
3-(methoxymethyl)-2-methylhexa-2,4-diene
CID 123167394
tert-butyl-[(2E,4Z)-5,6,6,7,7,8,8,9,9,10,10,10-dodecafluorodeca-2,4-dien-4-yl]oxy-dimethylsilane
CID 14968255
tert-butyl [(1E)-4-methyl-1-trimethylsilylpenta-1,3-dien-3-yl] carbonate
CID 102525574

Frequently Asked Questions

What is the IUPAC name of methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane?
The IUPAC name of methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane (CID 173401734) is methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane.
What is the SMILES notation for methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane?
The canonical SMILES for methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane is CC=CC(O[Si](C)(OC(C=CC)=C(C)C)OC(C=CC)=C(C)C)=C(C)C.
What is the InChIKey of methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane?
The InChIKey is YWMBDWISYMTSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3Si/c1-11-14-20(17(4)5)23-26(10,24-21(15-12-2)18(6)7)25-22(16-13-3)19(8)9/h11-16H,1-10H3.
What are the key properties of methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane?
methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane has a molecular weight of 376.61 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2-methylhexa-2,4-dien-3-yloxy)silane is sourced from PubChem (CID 173401734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).