(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one

C15H26O3 — CID 24978090

IUPAC(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one
SMILESCCCCCCCC(=O)/C=C/CCC1OCCO1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-9-14(16)10-7-8-11-15-17-12-13-18-15/h7,10,15H,2-6,8-9,11-13H2,1H3/b10-7+
InChIKeyBAJZBUONHXXAOV-JXMROGBWSA-N
MW254.37 g/mol
LogP3.63
Rot. Bonds10

About (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one

(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one (PubChem CID 24978090) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one.

Molecular Properties

Compound Name(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one
PubChem CID24978090
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one
SMILESCCCCCCCC(=O)/C=C/CCC1OCCO1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-9-14(16)10-7-8-11-15-17-12-13-18-15/h7,10,15H,2-6,8-9,11-13H2,1H3/b10-7+
InChIKeyBAJZBUONHXXAOV-JXMROGBWSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]octadec-4-en-6-one
CID 57398831
(E)-3-(2-(2-methyl-1,3-dioxolan-2-yl)ethylidene)octan-2-one
CID 25062352
2-[(E)-6-(1,3-dioxolan-2-yl)-4-methylhex-3-enyl]cyclopent-2-en-1-one
CID 14035236
3-[3-(1,3-Dioxolan-2-yl)propyl]cyclohex-2-en-1-one
CID 12210045
(E)-1-([1,3]dioxolan-2-yl)-hex-4-en-3-one
CID 14785733
3-(2-(1,3-Dioxolan-2-yl)ethyl)cyclohex-2-en-1-one
CID 10921454
1-[2-[(E)-non-3-enyl]-1,3-dioxolan-2-yl]propan-2-one
CID 21301804
(E)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)dodec-2-en-4-one
CID 22971580
(E)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]dodec-2-en-4-one
CID 59040503
3-[2-(2-Methyl-1,3-dioxolan-2-yl)ethylidene]octan-2-one
CID 68452277
(3Z)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]octan-2-one
CID 68526881
(Z)-1-(2-methyl-1,3-dioxolan-2-yl)dec-2-en-4-one
CID 68527447

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one?
The IUPAC name of (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one (CID 24978090) is (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one.
What is the SMILES notation for (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one?
The canonical SMILES for (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one is CCCCCCCC(=O)/C=C/CCC1OCCO1.
What is the InChIKey of (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one?
The InChIKey is BAJZBUONHXXAOV-JXMROGBWSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-4-5-6-9-14(16)10-7-8-11-15-17-12-13-18-15/h7,10,15H,2-6,8-9,11-13H2,1H3/b10-7+.
What are the key properties of (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one?
(E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one has a molecular weight of 254.37 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,3-dioxolan-2-yl)dodec-3-en-5-one is sourced from PubChem (CID 24978090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).