(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene

C13H22O — CID 130307938

IUPAC(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene
SMILESC=CCOC(/C=C\CCC(C)C)=C/C
InChIInChI=1S/C13H22O/c1-5-11-14-13(6-2)10-8-7-9-12(3)4/h5-6,8,10,12H,1,7,9,11H2,2-4H3/b10-8-,13-6+
InChIKeyICGOWNABWJFRDM-CXYLWPJTSA-N
MW194.32 g/mol
LogP4.09
Rot. Bonds7

About (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene

(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene (PubChem CID 130307938) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene
PubChem CID130307938
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene
SMILESC=CCOC(/C=C\CCC(C)C)=C/C
InChIInChI=1S/C13H22O/c1-5-11-14-13(6-2)10-8-7-9-12(3)4/h5-6,8,10,12H,1,7,9,11H2,2-4H3/b10-8-,13-6+
InChIKeyICGOWNABWJFRDM-CXYLWPJTSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene?
The IUPAC name of (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene (CID 130307938) is (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene.
What is the SMILES notation for (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene?
The canonical SMILES for (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene is C=CCOC(/C=C\CCC(C)C)=C/C.
What is the InChIKey of (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene?
The InChIKey is ICGOWNABWJFRDM-CXYLWPJTSA-N. The full InChI is InChI=1S/C13H22O/c1-5-11-14-13(6-2)10-8-7-9-12(3)4/h5-6,8,10,12H,1,7,9,11H2,2-4H3/b10-8-,13-6+.
What are the key properties of (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene?
(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene has a molecular weight of 194.32 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene is sourced from PubChem (CID 130307938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).