4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate

C24H50O4Si2 — CID 123903731

IUPAC4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate
SMILESCCCCC(CCCC)C(=O)O[SiH2]CCCC[SiH2]OC(=O)C(CCCC)CCCC
InChIInChI=1S/C24H50O4Si2/c1-5-9-15-21(16-10-6-2)23(25)27-29-19-13-14-20-30-28-24(26)22(17-11-7-3)18-12-8-4/h21-22H,5-20,29-30H2,1-4H3
InChIKeyBZJZBOULBRADFL-UHFFFAOYSA-N
MW458.83 g/mol
LogP5.85
Rot. Bonds21

About 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate

4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate (PubChem CID 123903731) has the molecular formula C24H50O4Si2 and a molecular weight of 458.83 g/mol. Its IUPAC name is 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate.

Molecular Properties

Compound Name4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate
PubChem CID123903731
Molecular FormulaC24H50O4Si2
Molecular Weight458.83 g/mol
Exact Mass458.32
IUPAC Name4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate
SMILESCCCCC(CCCC)C(=O)O[SiH2]CCCC[SiH2]OC(=O)C(CCCC)CCCC
InChIInChI=1S/C24H50O4Si2/c1-5-9-15-21(16-10-6-2)23(25)27-29-19-13-14-20-30-28-24(26)22(17-11-7-3)18-12-8-4/h21-22H,5-20,29-30H2,1-4H3
InChIKeyBZJZBOULBRADFL-UHFFFAOYSA-N
XLogP5.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.83
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butylhexanoyloxy 2-butylhexaneperoxoate
CID 157198454
butyl 2-butylhexanoate;stannane
CID 172996715
stannane;sulfanyl 2-butylhexanoate
CID 173108176
tert-butyl 2-butyloctanoate
CID 141041345
2-hydroxyethyl 2-propylhexanoate
CID 58491956
2-propylhexanamide
CID 19818979
2-propylnonanoyl 2-propylnonanoate
CID 54359138
tetradecyl 2-butylhexanoate
CID 91318887
tert-butyl 2-propyldecanoate
CID 141018568
1-O-dodecyl 4-O-octylsilyl but-2-enedioate
CID 173067006
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-dodecyltetradecanoate
CID 125289764

Frequently Asked Questions

What is the IUPAC name of 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate?
The IUPAC name of 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate (CID 123903731) is 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate.
What is the SMILES notation for 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate?
The canonical SMILES for 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate is CCCCC(CCCC)C(=O)O[SiH2]CCCC[SiH2]OC(=O)C(CCCC)CCCC.
What is the InChIKey of 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate?
The InChIKey is BZJZBOULBRADFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4Si2/c1-5-9-15-21(16-10-6-2)23(25)27-29-19-13-14-20-30-28-24(26)22(17-11-7-3)18-12-8-4/h21-22H,5-20,29-30H2,1-4H3.
What are the key properties of 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate?
4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate has a molecular weight of 458.83 g/mol, XLogP of 5.85, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylhexanoyloxysilyl)butylsilyl 2-butylhexanoate is sourced from PubChem (CID 123903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).