4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde

C19H34O3Si — CID 91226156

IUPAC4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde
SMILESCC(C)[Si](OCCC1CCC(C=O)=C(C=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O3Si/c1-14(2)23(15(3)4,16(5)6)22-10-9-17-7-8-18(12-20)19(11-17)13-21/h12-17H,7-11H2,1-6H3
InChIKeyIATQLYWKYPAOOA-UHFFFAOYSA-N
MW338.56 g/mol
LogP5.06
Rot. Bonds9

About 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde

4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde (PubChem CID 91226156) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde
PubChem CID91226156
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde
SMILESCC(C)[Si](OCCC1CCC(C=O)=C(C=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O3Si/c1-14(2)23(15(3)4,16(5)6)22-10-9-17-7-8-18(12-20)19(11-17)13-21/h12-17H,7-11H2,1-6H3
InChIKeyIATQLYWKYPAOOA-UHFFFAOYSA-N
XLogP5.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
1,3,3-Trimethyl-2-[2-(tert-butyl)dimethylsyloxyethyl]cyclohexene-4-carboxaldehyde
CID 552393
5-(2-Triisopropylsilanyloxy-ethyl)-cyclohex-1-enecarbaldehyde
CID 21986203
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carbaldehyde
CID 89472489
(1R,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7a-methyl-1,2,3,5,6,7-hexahydroindene-4-carbaldehyde
CID 139968534
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 140798037
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 140798043
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
CID 140847787
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-pentan-3-ylcyclohexene-1-carbaldehyde
CID 157169562
(E)-2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]dec-2-enal
CID 160090056
2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-3-ethylcyclohex-2-en-1-one
CID 160276849
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 173685404

Frequently Asked Questions

What is the IUPAC name of 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde?
The IUPAC name of 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde (CID 91226156) is 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde.
What is the SMILES notation for 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde?
The canonical SMILES for 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde is CC(C)[Si](OCCC1CCC(C=O)=C(C=O)C1)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde?
The InChIKey is IATQLYWKYPAOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-14(2)23(15(3)4,16(5)6)22-10-9-17-7-8-18(12-20)19(11-17)13-21/h12-17H,7-11H2,1-6H3.
What are the key properties of 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde?
4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde has a molecular weight of 338.56 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde is sourced from PubChem (CID 91226156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).