3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde

C20H32O2Si — CID 123407080

IUPAC3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde
SMILES[2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(C=O)c2)CC1
InChIInChI=1S/C20H32O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-20(10-11-20)19-9-7-8-18(12-19)13-21/h7-9,12-13,15-17H,10-11,14H2,1-6H3/i14D2
InChIKeyCPOSBHDKNDCMOQ-FNHLFAINSA-N
MW334.57 g/mol
LogP5.72
Rot. Bonds8

About 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde

3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde (PubChem CID 123407080) has the molecular formula C20H32O2Si and a molecular weight of 334.57 g/mol. Its IUPAC name is 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde.

Molecular Properties

Compound Name3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde
PubChem CID123407080
Molecular FormulaC20H32O2Si
Molecular Weight334.57 g/mol
Exact Mass334.23
IUPAC Name3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde
SMILES[2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(C=O)c2)CC1
InChIInChI=1S/C20H32O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-20(10-11-20)19-9-7-8-18(12-19)13-21/h7-9,12-13,15-17H,10-11,14H2,1-6H3/i14D2
InChIKeyCPOSBHDKNDCMOQ-FNHLFAINSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
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-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde?
The IUPAC name of 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde (CID 123407080) is 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde.
What is the SMILES notation for 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde?
The canonical SMILES for 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde is [2H]C([2H])(O[Si](C(C)C)(C(C)C)C(C)C)C1(c2cccc(C=O)c2)CC1.
What is the InChIKey of 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde?
The InChIKey is CPOSBHDKNDCMOQ-FNHLFAINSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-15(2)23(16(3)4,17(5)6)22-14-20(10-11-20)19-9-7-8-18(12-19)13-21/h7-9,12-13,15-17H,10-11,14H2,1-6H3/i14D2.
What are the key properties of 3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde?
3-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde has a molecular weight of 334.57 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-[1-[dideuterio-tri(propan-2-yl)silyloxymethyl]cyclopropyl]benzaldehyde is sourced from PubChem (CID 123407080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).