1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde

C17H32O2Si — CID 10913494

IUPAC1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1=CCC(C)(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-16-8-10-17(7,12-18)11-9-16/h8,12-15H,9-11H2,1-7H3
InChIKeyAFDALRXZJLAYHX-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.45
Rot. Bonds6

About 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde

1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 10913494) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID10913494
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1=CCC(C)(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-16-8-10-17(7,12-18)11-9-16/h8,12-15H,9-11H2,1-7H3
InChIKeyAFDALRXZJLAYHX-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-prop-2-ynyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 25067663
(1R)-1-chloro-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134857291
1-Bromo-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134980506
4-Tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134992135
4-Trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
CID 135036773
(1S)-1-chloro-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 135082758
(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde
CID 135086555
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbaldehyde
CID 11830404
1-(((Tert-butyldimethylsilyl)oxy)methyl)cyclohex-3-ene-1-carbaldehyde
CID 87373120
1-Ethyl-2-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 160029476
2-Methyl-4-trimethylsilyloxy-1-[2-tri(propan-2-yl)silylethynyl]cyclohex-3-ene-1-carbaldehyde
CID 162210533

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (CID 10913494) is 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is CC(C)[Si](OC1=CCC(C)(C=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is AFDALRXZJLAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(2)20(14(3)4,15(5)6)19-16-8-10-17(7,12-18)11-9-16/h8,12-15H,9-11H2,1-7H3.
What are the key properties of 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 296.53 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10913494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).