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

C16H30O2Si — CID 11346595

IUPAC1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1(C=O)CC=CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h7-8,12-15H,9-11H2,1-6H3
InChIKeyPCFCFMDZTGNJSR-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds6

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

1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 11346595) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID11346595
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1(C=O)CC=CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h7-8,12-15H,9-11H2,1-6H3
InChIKeyPCFCFMDZTGNJSR-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.86
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (CID 11346595) is 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is CC(C)[Si](OC1(C=O)CC=CCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is PCFCFMDZTGNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h7-8,12-15H,9-11H2,1-6H3.
What are the key properties of 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 11346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).