3-trimethylsilyloxypropyl undec-10-enoate

C17H34O3Si — CID 91749273

IUPAC3-trimethylsilyloxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCCO[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-14-17(18)19-15-13-16-20-21(2,3)4/h5H,1,6-16H2,2-4H3
InChIKeyWAJXYMQQEIRESZ-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds14

About 3-trimethylsilyloxypropyl undec-10-enoate

3-trimethylsilyloxypropyl undec-10-enoate (PubChem CID 91749273) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 3-trimethylsilyloxypropyl undec-10-enoate.

Molecular Properties

Compound Name3-trimethylsilyloxypropyl undec-10-enoate
PubChem CID91749273
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name3-trimethylsilyloxypropyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCCCO[Si](C)(C)C
InChIInChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-14-17(18)19-15-13-16-20-21(2,3)4/h5H,1,6-16H2,2-4H3
InChIKeyWAJXYMQQEIRESZ-UHFFFAOYSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
bis(pent-4-enyl) decanedioate
CID 91694638
hexyl oct-7-enoate
CID 91748282
heptyl hept-6-enoate
CID 129220829
hept-6-enyl nonanoate
CID 146588194
hex-5-enyl decanoate
CID 166881880
hept-6-enyl hexacosanoate
CID 102118795
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
but-3-enyl hept-6-enoate
CID 86101121
ethane;hexyl dec-9-enoate
CID 142461660
azane;2-methoxyethyl undec-10-enoate
CID 174560084
2-hydroxyethyl dec-9-enoate
CID 87084822

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxypropyl undec-10-enoate?
The IUPAC name of 3-trimethylsilyloxypropyl undec-10-enoate (CID 91749273) is 3-trimethylsilyloxypropyl undec-10-enoate.
What is the SMILES notation for 3-trimethylsilyloxypropyl undec-10-enoate?
The canonical SMILES for 3-trimethylsilyloxypropyl undec-10-enoate is C=CCCCCCCCCC(=O)OCCCO[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilyloxypropyl undec-10-enoate?
The InChIKey is WAJXYMQQEIRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-5-6-7-8-9-10-11-12-14-17(18)19-15-13-16-20-21(2,3)4/h5H,1,6-16H2,2-4H3.
What are the key properties of 3-trimethylsilyloxypropyl undec-10-enoate?
3-trimethylsilyloxypropyl undec-10-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxypropyl undec-10-enoate is sourced from PubChem (CID 91749273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).