(2E,4E)-1-pent-4-enoxyhexa-2,4-diene

C11H18O — CID 101180085

IUPAC(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
SMILESC=CCCCOC/C=C/C=C/C
InChIInChI=1S/C11H18O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-5,7,9H,2,6,8,10-11H2,1H3/b5-3+,9-7+
InChIKeyKGSXTNYNRUPMOT-WJDMQLPWSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds7

About (2E,4E)-1-pent-4-enoxyhexa-2,4-diene

(2E,4E)-1-pent-4-enoxyhexa-2,4-diene (PubChem CID 101180085) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2E,4E)-1-pent-4-enoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
PubChem CID101180085
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2E,4E)-1-pent-4-enoxyhexa-2,4-diene
SMILESC=CCCCOC/C=C/C=C/C
InChIInChI=1S/C11H18O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-5,7,9H,2,6,8,10-11H2,1H3/b5-3+,9-7+
InChIKeyKGSXTNYNRUPMOT-WJDMQLPWSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
(2E,4E)-1-(4-bromopent-4-enoxy)hexa-2,4-diene
CID 13113516
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
1,6-bis(but-2-enoxy)hexane
CID 173425920
9-nona-2,8-dienoxynona-1,7-diene
CID 174408599
12-dodec-11-enoxydodec-1-ene
CID 87325659
5-(2-bromoethoxy)pent-1-ene
CID 79115016
1-but-2-enoxybutane
CID 543904
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-pent-4-enoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1-pent-4-enoxyhexa-2,4-diene (CID 101180085) is (2E,4E)-1-pent-4-enoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1-pent-4-enoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1-pent-4-enoxyhexa-2,4-diene is C=CCCCOC/C=C/C=C/C.
What is the InChIKey of (2E,4E)-1-pent-4-enoxyhexa-2,4-diene?
The InChIKey is KGSXTNYNRUPMOT-WJDMQLPWSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-5,7,9H,2,6,8,10-11H2,1H3/b5-3+,9-7+.
What are the key properties of (2E,4E)-1-pent-4-enoxyhexa-2,4-diene?
(2E,4E)-1-pent-4-enoxyhexa-2,4-diene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-pent-4-enoxyhexa-2,4-diene is sourced from PubChem (CID 101180085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).