(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene

C15H26O — CID 101411417

IUPAC(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene
SMILESC/C=C/CO/C=C\C=C\CCCCCCC
InChIInChI=1S/C15H26O/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h4,6,11-13,15H,3,5,7-10,14H2,1-2H3/b6-4+,12-11+,15-13-
InChIKeyNIVNFQLUBAULMG-ATFOMGQGSA-N
MW222.37 g/mol
LogP5.01
Rot. Bonds10

About (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene

(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene (PubChem CID 101411417) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene
PubChem CID101411417
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene
SMILESC/C=C/CO/C=C\C=C\CCCCCCC
InChIInChI=1S/C15H26O/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h4,6,11-13,15H,3,5,7-10,14H2,1-2H3/b6-4+,12-11+,15-13-
InChIKeyNIVNFQLUBAULMG-ATFOMGQGSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
1-non-2-enoxynon-1-ene
CID 151686725
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(Z)-icos-2-ene
CID 5352524
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
1-hexoxyocta-1,3-diene
CID 149151620
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
octadeca-2,10-diene
CID 54270716
(6E)-octadeca-4,6-diene
CID 173243345
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene?
The IUPAC name of (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene (CID 101411417) is (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene.
What is the SMILES notation for (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene?
The canonical SMILES for (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene is C/C=C/CO/C=C\C=C\CCCCCCC.
What is the InChIKey of (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene?
The InChIKey is NIVNFQLUBAULMG-ATFOMGQGSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h4,6,11-13,15H,3,5,7-10,14H2,1-2H3/b6-4+,12-11+,15-13-.
What are the key properties of (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene?
(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene is sourced from PubChem (CID 101411417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).