2-butylsilyl-16-cyclohexyloxyhexadecanal

C26H52O2Si — CID 123420739

IUPAC2-butylsilyl-16-cyclohexyloxyhexadecanal
SMILESCCCC[SiH2]C(C=O)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C26H52O2Si/c1-2-3-23-29-26(24-27)21-17-12-10-8-6-4-5-7-9-11-13-18-22-28-25-19-15-14-16-20-25/h24-26H,2-23,29H2,1H3
InChIKeyKUJUFJCYUDXHSM-UHFFFAOYSA-N
MW424.79 g/mol
LogP7.78
Rot. Bonds21

About 2-butylsilyl-16-cyclohexyloxyhexadecanal

2-butylsilyl-16-cyclohexyloxyhexadecanal (PubChem CID 123420739) has the molecular formula C26H52O2Si and a molecular weight of 424.79 g/mol. Its IUPAC name is 2-butylsilyl-16-cyclohexyloxyhexadecanal.

Molecular Properties

Compound Name2-butylsilyl-16-cyclohexyloxyhexadecanal
PubChem CID123420739
Molecular FormulaC26H52O2Si
Molecular Weight424.79 g/mol
Exact Mass424.37
IUPAC Name2-butylsilyl-16-cyclohexyloxyhexadecanal
SMILESCCCC[SiH2]C(C=O)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C26H52O2Si/c1-2-3-23-29-26(24-27)21-17-12-10-8-6-4-5-7-9-11-13-18-22-28-25-19-15-14-16-20-25/h24-26H,2-23,29H2,1H3
InChIKeyKUJUFJCYUDXHSM-UHFFFAOYSA-N
XLogP7.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

12-cyclohexyloxy-2-ethyldodecanal
CID 91803189
20-cyclohexyloxy-2-ethoxyicosanal
CID 91126556
2-chloro-18-cyclohexyloxyoctadecanal
CID 91596992
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
6-methylheptoxycyclohexane
CID 66984925
4-cyclohexyloxy-2-ethylbutanal
CID 91130467
10-cyclohexyloxy-2-(dichloromethyl)decanal
CID 91249798
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxycyclobutane
CID 54057236
4-(cyclooctyloxymethyl)heptoxycyclooctane
CID 90894571

Frequently Asked Questions

What is the IUPAC name of 2-butylsilyl-16-cyclohexyloxyhexadecanal?
The IUPAC name of 2-butylsilyl-16-cyclohexyloxyhexadecanal (CID 123420739) is 2-butylsilyl-16-cyclohexyloxyhexadecanal.
What is the SMILES notation for 2-butylsilyl-16-cyclohexyloxyhexadecanal?
The canonical SMILES for 2-butylsilyl-16-cyclohexyloxyhexadecanal is CCCC[SiH2]C(C=O)CCCCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 2-butylsilyl-16-cyclohexyloxyhexadecanal?
The InChIKey is KUJUFJCYUDXHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2Si/c1-2-3-23-29-26(24-27)21-17-12-10-8-6-4-5-7-9-11-13-18-22-28-25-19-15-14-16-20-25/h24-26H,2-23,29H2,1H3.
What are the key properties of 2-butylsilyl-16-cyclohexyloxyhexadecanal?
2-butylsilyl-16-cyclohexyloxyhexadecanal has a molecular weight of 424.79 g/mol, XLogP of 7.78, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsilyl-16-cyclohexyloxyhexadecanal is sourced from PubChem (CID 123420739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).