2-[(E)-undec-1-enyl]-1,3-dioxolane

C14H26O2 — CID 170873891

IUPAC2-[(E)-undec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyABYFOTBURAAILX-ZHACJKMWSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds9

About 2-[(E)-undec-1-enyl]-1,3-dioxolane

2-[(E)-undec-1-enyl]-1,3-dioxolane (PubChem CID 170873891) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(E)-undec-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-undec-1-enyl]-1,3-dioxolane
PubChem CID170873891
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(E)-undec-1-enyl]-1,3-dioxolane
SMILESCCCCCCCCC/C=C/C1OCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+
InChIKeyABYFOTBURAAILX-ZHACJKMWSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
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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Related Compounds

2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
CID 13244502
2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
CID 11149074
2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
CID 141004308
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-undec-1-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-undec-1-enyl]-1,3-dioxolane (CID 170873891) is 2-[(E)-undec-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-undec-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-undec-1-enyl]-1,3-dioxolane is CCCCCCCCC/C=C/C1OCCO1.
What is the InChIKey of 2-[(E)-undec-1-enyl]-1,3-dioxolane?
The InChIKey is ABYFOTBURAAILX-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h10-11,14H,2-9,12-13H2,1H3/b11-10+.
What are the key properties of 2-[(E)-undec-1-enyl]-1,3-dioxolane?
2-[(E)-undec-1-enyl]-1,3-dioxolane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-undec-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 170873891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).