2,3-bis(trimethylsilyloxy)tridecanal

C19H42O3Si2 — CID 23528950

IUPAC2,3-bis(trimethylsilyloxy)tridecanal
SMILESCCCCCCCCCCC(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-8-9-10-11-12-13-14-15-16-18(21-23(2,3)4)19(17-20)22-24(5,6)7/h17-19H,8-16H2,1-7H3
InChIKeyLKHPHYGKLCLATO-UHFFFAOYSA-N
MW374.71 g/mol
LogP6.16
Rot. Bonds15

About 2,3-bis(trimethylsilyloxy)tridecanal

2,3-bis(trimethylsilyloxy)tridecanal (PubChem CID 23528950) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)tridecanal.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)tridecanal
PubChem CID23528950
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name2,3-bis(trimethylsilyloxy)tridecanal
SMILESCCCCCCCCCCC(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-8-9-10-11-12-13-14-15-16-18(21-23(2,3)4)19(17-20)22-24(5,6)7/h17-19H,8-16H2,1-7H3
InChIKeyLKHPHYGKLCLATO-UHFFFAOYSA-N
XLogP6.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)tridecanal?
The IUPAC name of 2,3-bis(trimethylsilyloxy)tridecanal (CID 23528950) is 2,3-bis(trimethylsilyloxy)tridecanal.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)tridecanal?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)tridecanal is CCCCCCCCCCC(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)tridecanal?
The InChIKey is LKHPHYGKLCLATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-8-9-10-11-12-13-14-15-16-18(21-23(2,3)4)19(17-20)22-24(5,6)7/h17-19H,8-16H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)tridecanal?
2,3-bis(trimethylsilyloxy)tridecanal has a molecular weight of 374.71 g/mol, XLogP of 6.16, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)tridecanal is sourced from PubChem (CID 23528950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).