4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde

C18H28O2Si — CID 18352505

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1C1CCCC1
InChIInChI=1S/C18H28O2Si/c1-18(2,3)21(4,5)20-17-11-10-14(13-19)12-16(17)15-8-6-7-9-15/h10-13,15H,6-9H2,1-5H3
InChIKeyDTADSZNFWVWPRB-UHFFFAOYSA-N
MW304.51 g/mol
LogP5.54
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde (PubChem CID 18352505) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
PubChem CID18352505
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1C1CCCC1
InChIInChI=1S/C18H28O2Si/c1-18(2,3)21(4,5)20-17-11-10-14(13-19)12-16(17)15-8-6-7-9-15/h10-13,15H,6-9H2,1-5H3
InChIKeyDTADSZNFWVWPRB-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.54
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

tert-butyl (E)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylphenyl]prop-2-enoate
CID 18352482
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
3,4-bis[[tert-butyl(dimethyl)silyl]oxy]benzaldehyde;piperidine
CID 87197183
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
3-cyclopentyl-4-hydroxybenzaldehyde
CID 23439068
4-methoxy-3-piperidin-4-ylbenzaldehyde
CID 166844972
3-cycloheptyl-4-hydroxybenzaldehyde
CID 155670668
tert-butyl 4-(5-formyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 167311933
[2-[(2S,3S,4aR,8aR)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxalin-2-yl]phenoxy]-tert-butyl-dimethylsilane
CID 101225453

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde (CID 18352505) is 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1C1CCCC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde?
The InChIKey is DTADSZNFWVWPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-18(2,3)21(4,5)20-17-11-10-14(13-19)12-16(17)15-8-6-7-9-15/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde has a molecular weight of 304.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylbenzaldehyde is sourced from PubChem (CID 18352505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).