[hexanoyloxy-di(propan-2-yl)silyl] hexanoate

C18H36O4Si — CID 170849779

IUPAC[hexanoyloxy-di(propan-2-yl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](OC(=O)CCCCC)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-7-9-11-13-17(19)21-23(15(3)4,16(5)6)22-18(20)14-12-10-8-2/h15-16H,7-14H2,1-6H3
InChIKeyCITXFSUPQSFCMB-UHFFFAOYSA-N
MW344.57 g/mol
LogP5.50
Rot. Bonds12

About [hexanoyloxy-di(propan-2-yl)silyl] hexanoate

[hexanoyloxy-di(propan-2-yl)silyl] hexanoate (PubChem CID 170849779) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [hexanoyloxy-di(propan-2-yl)silyl] hexanoate.

Molecular Properties

Compound Name[hexanoyloxy-di(propan-2-yl)silyl] hexanoate
PubChem CID170849779
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name[hexanoyloxy-di(propan-2-yl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](OC(=O)CCCCC)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-7-9-11-13-17(19)21-23(15(3)4,16(5)6)22-18(20)14-12-10-8-2/h15-16H,7-14H2,1-6H3
InChIKeyCITXFSUPQSFCMB-UHFFFAOYSA-N
XLogP5.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.50
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

Trimethylsilyl stearate
CID 87777
Bis(trimethylsilyl) adipate
CID 87457
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Hexanoic acid, trimethylsilyl ester
CID 518907
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Bis(trimethylsilyl) sebacate
CID 519558
Trimethylsilyl tetracosanoate
CID 522540
Trimethylsilyl heptadecanoate
CID 521635
Arachidic acid, trimethylsilyl ester
CID 521648
Trimethylsilyl nonadecanoate
CID 522538

Frequently Asked Questions

What is the IUPAC name of [hexanoyloxy-di(propan-2-yl)silyl] hexanoate?
The IUPAC name of [hexanoyloxy-di(propan-2-yl)silyl] hexanoate (CID 170849779) is [hexanoyloxy-di(propan-2-yl)silyl] hexanoate.
What is the SMILES notation for [hexanoyloxy-di(propan-2-yl)silyl] hexanoate?
The canonical SMILES for [hexanoyloxy-di(propan-2-yl)silyl] hexanoate is CCCCCC(=O)O[Si](OC(=O)CCCCC)(C(C)C)C(C)C.
What is the InChIKey of [hexanoyloxy-di(propan-2-yl)silyl] hexanoate?
The InChIKey is CITXFSUPQSFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-7-9-11-13-17(19)21-23(15(3)4,16(5)6)22-18(20)14-12-10-8-2/h15-16H,7-14H2,1-6H3.
What are the key properties of [hexanoyloxy-di(propan-2-yl)silyl] hexanoate?
[hexanoyloxy-di(propan-2-yl)silyl] hexanoate has a molecular weight of 344.57 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hexanoyloxy-di(propan-2-yl)silyl] hexanoate is sourced from PubChem (CID 170849779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).