8-prop-1-en-2-yldodec-11-en-3-yl acetate

C17H30O2 — CID 19708479

IUPAC8-prop-1-en-2-yldodec-11-en-3-yl acetate
SMILESC=CCCC(CCCCC(CC)OC(C)=O)C(=C)C
InChIInChI=1S/C17H30O2/c1-6-8-11-16(14(3)4)12-9-10-13-17(7-2)19-15(5)18/h6,16-17H,1,3,7-13H2,2,4-5H3
InChIKeyIIUJHCDEYZGBNW-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.05
Rot. Bonds11

About 8-prop-1-en-2-yldodec-11-en-3-yl acetate

8-prop-1-en-2-yldodec-11-en-3-yl acetate (PubChem CID 19708479) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 8-prop-1-en-2-yldodec-11-en-3-yl acetate.

Molecular Properties

Compound Name8-prop-1-en-2-yldodec-11-en-3-yl acetate
PubChem CID19708479
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name8-prop-1-en-2-yldodec-11-en-3-yl acetate
SMILESC=CCCC(CCCCC(CC)OC(C)=O)C(=C)C
InChIInChI=1S/C17H30O2/c1-6-8-11-16(14(3)4)12-9-10-13-17(7-2)19-15(5)18/h6,16-17H,1,3,7-13H2,2,4-5H3
InChIKeyIIUJHCDEYZGBNW-UHFFFAOYSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.05
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 8-prop-1-en-2-yldodec-11-en-3-yl acetate?
The IUPAC name of 8-prop-1-en-2-yldodec-11-en-3-yl acetate (CID 19708479) is 8-prop-1-en-2-yldodec-11-en-3-yl acetate.
What is the SMILES notation for 8-prop-1-en-2-yldodec-11-en-3-yl acetate?
The canonical SMILES for 8-prop-1-en-2-yldodec-11-en-3-yl acetate is C=CCCC(CCCCC(CC)OC(C)=O)C(=C)C.
What is the InChIKey of 8-prop-1-en-2-yldodec-11-en-3-yl acetate?
The InChIKey is IIUJHCDEYZGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-8-11-16(14(3)4)12-9-10-13-17(7-2)19-15(5)18/h6,16-17H,1,3,7-13H2,2,4-5H3.
What are the key properties of 8-prop-1-en-2-yldodec-11-en-3-yl acetate?
8-prop-1-en-2-yldodec-11-en-3-yl acetate has a molecular weight of 266.42 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-1-en-2-yldodec-11-en-3-yl acetate is sourced from PubChem (CID 19708479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).