undec-10-enyl 2,2-dimethylpropanoate

C16H30O2 — CID 545304

IUPACundec-10-enyl 2,2-dimethylpropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5H,1,6-14H2,2-4H3
InChIKeyPSKTVBUPGYXXEO-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds10

About undec-10-enyl 2,2-dimethylpropanoate

undec-10-enyl 2,2-dimethylpropanoate (PubChem CID 545304) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is undec-10-enyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameundec-10-enyl 2,2-dimethylpropanoate
PubChem CID545304
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameundec-10-enyl 2,2-dimethylpropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5H,1,6-14H2,2-4H3
InChIKeyPSKTVBUPGYXXEO-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2,2-dimethylpropanoate?
The IUPAC name of undec-10-enyl 2,2-dimethylpropanoate (CID 545304) is undec-10-enyl 2,2-dimethylpropanoate.
What is the SMILES notation for undec-10-enyl 2,2-dimethylpropanoate?
The canonical SMILES for undec-10-enyl 2,2-dimethylpropanoate is C=CCCCCCCCCCOC(=O)C(C)(C)C.
What is the InChIKey of undec-10-enyl 2,2-dimethylpropanoate?
The InChIKey is PSKTVBUPGYXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5H,1,6-14H2,2-4H3.
What are the key properties of undec-10-enyl 2,2-dimethylpropanoate?
undec-10-enyl 2,2-dimethylpropanoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2,2-dimethylpropanoate is sourced from PubChem (CID 545304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).