4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane

C18H34O3Si — CID 91315963

IUPAC4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane
SMILESC=CC(C1CCCCC1)C(C=C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H34O3Si/c1-6-17(16-14-12-11-13-15-16)18(7-2)22(19-8-3,20-9-4)21-10-5/h6-7,16-18H,1-2,8-15H2,3-5H3
InChIKeyYZQUTHUZSDWDCT-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.97
Rot. Bonds11

About 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane

4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane (PubChem CID 91315963) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane.

Molecular Properties

Compound Name4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane
PubChem CID91315963
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane
SMILESC=CC(C1CCCCC1)C(C=C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H34O3Si/c1-6-17(16-14-12-11-13-15-16)18(7-2)22(19-8-3,20-9-4)21-10-5/h6-7,16-18H,1-2,8-15H2,3-5H3
InChIKeyYZQUTHUZSDWDCT-UHFFFAOYSA-N
XLogP4.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Triethoxy[2-(4-methylcyclohex-3-en-1-yl)propyl]silane
CID 13650253
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
t-Butyl-[4-(2,2-dimethyl-6-methylene-cyclohexyl)-but-1-enyloxy]-dimethyl-silane
CID 5366436
t-Butyl-[3-(2,2-dimethyl-6-methylenecyclohexyl)propenyloxy]dimethylsilane
CID 5366648
Cyclohexane, 1,1-dimethyl-3-methylene-2-[3-(t-butyldimethylsilyloxy)-2-propenyl)-, (Z)-
CID 5366649
2-Cyclohexylhex-5-enyl(triethoxy)silane
CID 20026947
(3-Prop-1-en-2-ylcyclohexyl)-tripropoxysilane
CID 20026948
tert-butyl-dimethyl-[(E)-5-methylnon-1-enoxy]silane
CID 21662410
(3-Ethenyl-5-methylcyclohexyl)-tripropoxysilane
CID 53902491
CID 56975462
CID 56975462
(3-Prop-1-enylcyclohexyl)-tripropoxysilane
CID 57016472
2-[3,5-Di(ethylidene)cyclohexyl]ethyl-triethoxysilane
CID 57020769

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane?
The IUPAC name of 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane (CID 91315963) is 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane.
What is the SMILES notation for 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane?
The canonical SMILES for 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane is C=CC(C1CCCCC1)C(C=C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane?
The InChIKey is YZQUTHUZSDWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-6-17(16-14-12-11-13-15-16)18(7-2)22(19-8-3,20-9-4)21-10-5/h6-7,16-18H,1-2,8-15H2,3-5H3.
What are the key properties of 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane?
4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane has a molecular weight of 326.55 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylhexa-1,5-dien-3-yl(triethoxy)silane is sourced from PubChem (CID 91315963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).