2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane

C15H24O2 — CID 11149074

IUPAC2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
SMILESC#CCCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h1,11-12,15H,3-10,13-14H2/b12-11+
InChIKeyLVNDOFTXJQZZKV-VAWYXSNFSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds9

About 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane

2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane (PubChem CID 11149074) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
PubChem CID11149074
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
SMILESC#CCCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h1,11-12,15H,3-10,13-14H2/b12-11+
InChIKeyLVNDOFTXJQZZKV-VAWYXSNFSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
deca-1,9-diene;deca-1,9-diyne
CID 167656021
[(E)-dec-2-en-9-ynyl]-trimethylsilane
CID 10584513
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
CID 13244502
(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne
CID 140886931
N-(oxolan-3-ylmethyl)non-2-en-8-ynamide
CID 123797132
20-hydroxyhexatetraconta-4,12,27-trien-1,18,21,45-tetrayn-3-one
CID 85111461
N-(oxan-4-ylmethyl)deca-2,4-dien-9-ynamide
CID 88962638
ethyl (E)-pentadec-2-en-8,14-diynoate
CID 11076196
(4S,6S)-2-[(E)-dodec-1-en-6-ynyl]-4,6-dimethyl-1,3-dioxane
CID 100965923

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane (CID 11149074) is 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane is C#CCCCCCCCC/C=C/C1OCCO1.
What is the InChIKey of 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane?
The InChIKey is LVNDOFTXJQZZKV-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h1,11-12,15H,3-10,13-14H2/b12-11+.
What are the key properties of 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane?
2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane is sourced from PubChem (CID 11149074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).