(2E,4E)-2-prop-2-enoxynona-2,4-diene

C12H20O — CID 87210955

IUPAC(2E,4E)-2-prop-2-enoxynona-2,4-diene
SMILESC=CCO/C(C)=C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-4-6-7-8-9-10-12(3)13-11-5-2/h5,8-10H,2,4,6-7,11H2,1,3H3/b9-8+,12-10+
InChIKeySHCNXHIGFCWVDO-CDKJVOIVSA-N
MW180.29 g/mol
LogP3.84
Rot. Bonds7

About (2E,4E)-2-prop-2-enoxynona-2,4-diene

(2E,4E)-2-prop-2-enoxynona-2,4-diene (PubChem CID 87210955) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,4E)-2-prop-2-enoxynona-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-prop-2-enoxynona-2,4-diene
PubChem CID87210955
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2E,4E)-2-prop-2-enoxynona-2,4-diene
SMILESC=CCO/C(C)=C/C=C/CCCC
InChIInChI=1S/C12H20O/c1-4-6-7-8-9-10-12(3)13-11-5-2/h5,8-10H,2,4,6-7,11H2,1,3H3/b9-8+,12-10+
InChIKeySHCNXHIGFCWVDO-CDKJVOIVSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.84
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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-prop-2-enoxynona-2,4-diene?
The IUPAC name of (2E,4E)-2-prop-2-enoxynona-2,4-diene (CID 87210955) is (2E,4E)-2-prop-2-enoxynona-2,4-diene.
What is the SMILES notation for (2E,4E)-2-prop-2-enoxynona-2,4-diene?
The canonical SMILES for (2E,4E)-2-prop-2-enoxynona-2,4-diene is C=CCO/C(C)=C/C=C/CCCC.
What is the InChIKey of (2E,4E)-2-prop-2-enoxynona-2,4-diene?
The InChIKey is SHCNXHIGFCWVDO-CDKJVOIVSA-N. The full InChI is InChI=1S/C12H20O/c1-4-6-7-8-9-10-12(3)13-11-5-2/h5,8-10H,2,4,6-7,11H2,1,3H3/b9-8+,12-10+.
What are the key properties of (2E,4E)-2-prop-2-enoxynona-2,4-diene?
(2E,4E)-2-prop-2-enoxynona-2,4-diene has a molecular weight of 180.29 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-prop-2-enoxynona-2,4-diene is sourced from PubChem (CID 87210955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).