tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane

C22H40O2Si — CID 135074719

IUPACtert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
SMILESC=CCOC1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCCCC1C(=C)C
InChIInChI=1S/C22H40O2Si/c1-10-16-23-22(15-12-11-13-20(22)18(2)3)19(4)14-17-24-25(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+
InChIKeyPMSAYMACUGLGHT-XMHGGMMESA-N
MW364.65 g/mol
LogP6.66
Rot. Bonds8

About tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane

tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane (PubChem CID 135074719) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
PubChem CID135074719
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Nametert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
SMILESC=CCOC1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCCCC1C(=C)C
InChIInChI=1S/C22H40O2Si/c1-10-16-23-22(15-12-11-13-20(22)18(2)3)19(4)14-17-24-25(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+
InChIKeyPMSAYMACUGLGHT-XMHGGMMESA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
1-[(Z)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074151
1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074718
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-[(E)-3-cyclohexyloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427859
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
(5-Cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-triethoxysilane
CID 70406545
(5-Cyclohexyl-1-propoxycyclohexa-2,4-dien-1-yl)-trimethoxysilane
CID 70406567

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane (CID 135074719) is tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane is C=CCOC1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCCCC1C(=C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane?
The InChIKey is PMSAYMACUGLGHT-XMHGGMMESA-N. The full InChI is InChI=1S/C22H40O2Si/c1-10-16-23-22(15-12-11-13-20(22)18(2)3)19(4)14-17-24-25(8,9)21(5,6)7/h10,14,20H,1-2,11-13,15-17H2,3-9H3/b19-14+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane has a molecular weight of 364.65 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane is sourced from PubChem (CID 135074719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).