3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal

C18H36O2Si — CID 88850289

IUPAC3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal
SMILESCC(C)[Si](OC1CCC(CCC=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)21(15(3)4,16(5)6)20-18-11-9-17(10-12-18)8-7-13-19/h13-18H,7-12H2,1-6H3
InChIKeyFYUMVKUWEUVVCZ-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.72
Rot. Bonds8

About 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal

3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal (PubChem CID 88850289) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal.

Molecular Properties

Compound Name3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal
PubChem CID88850289
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal
SMILESCC(C)[Si](OC1CCC(CCC=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)21(15(3)4,16(5)6)20-18-11-9-17(10-12-18)8-7-13-19/h13-18H,7-12H2,1-6H3
InChIKeyFYUMVKUWEUVVCZ-UHFFFAOYSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.72
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal?
The IUPAC name of 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal (CID 88850289) is 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal.
What is the SMILES notation for 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal?
The canonical SMILES for 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal is CC(C)[Si](OC1CCC(CCC=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal?
The InChIKey is FYUMVKUWEUVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-14(2)21(15(3)4,16(5)6)20-18-11-9-17(10-12-18)8-7-13-19/h13-18H,7-12H2,1-6H3.
What are the key properties of 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal?
3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal has a molecular weight of 312.57 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-tri(propan-2-yl)silyloxycyclohexyl]propanal is sourced from PubChem (CID 88850289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).