4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde

C16H25ClO2Si — CID 168914750

IUPAC4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCC(C)[Si](Oc1cc(C=O)ccc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C16H25ClO2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-18)7-8-15(16)17/h7-13H,1-6H3
InChIKeyDZXNQMPBHBAIBG-UHFFFAOYSA-N
MW312.91 g/mol
LogP5.71
Rot. Bonds6

About 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde

4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde (PubChem CID 168914750) has the molecular formula C16H25ClO2Si and a molecular weight of 312.91 g/mol. Its IUPAC name is 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde.

Molecular Properties

Compound Name4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde
PubChem CID168914750
Molecular FormulaC16H25ClO2Si
Molecular Weight312.91 g/mol
Exact Mass312.13
IUPAC Name4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCC(C)[Si](Oc1cc(C=O)ccc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C16H25ClO2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-18)7-8-15(16)17/h7-13H,1-6H3
InChIKeyDZXNQMPBHBAIBG-UHFFFAOYSA-N
XLogP5.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.91
LogP ≤ 55.71
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

3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
4-chloro-3-(trichloromethoxy)benzaldehyde
CID 173442881
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
4-chloro-3-prop-2-ynoxybenzaldehyde
CID 73012754
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 59336031
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329
3-chloro-4-(2-methylpropyl)benzaldehyde
CID 86715140
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde?
The IUPAC name of 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde (CID 168914750) is 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde.
What is the SMILES notation for 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde?
The canonical SMILES for 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde is CC(C)[Si](Oc1cc(C=O)ccc1Cl)(C(C)C)C(C)C.
What is the InChIKey of 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde?
The InChIKey is DZXNQMPBHBAIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-14(10-18)7-8-15(16)17/h7-13H,1-6H3.
What are the key properties of 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde?
4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde has a molecular weight of 312.91 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-tri(propan-2-yl)silyloxybenzaldehyde is sourced from PubChem (CID 168914750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).