(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene

C14H22O — CID 144935336

IUPAC(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene
SMILESC=CCOC(/C=C(\C)CCC)=C/C(=C)C
InChIInChI=1S/C14H22O/c1-6-8-13(5)11-14(10-12(3)4)15-9-7-2/h7,10-11H,2-3,6,8-9H2,1,4-5H3/b13-11+,14-10+
InChIKeyIPGBYQVGQUAPFW-CKNIOMRDSA-N
MW206.33 g/mol
LogP4.40
Rot. Bonds7

About (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene

(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene (PubChem CID 144935336) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene
PubChem CID144935336
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene
SMILESC=CCOC(/C=C(\C)CCC)=C/C(=C)C
InChIInChI=1S/C14H22O/c1-6-8-13(5)11-14(10-12(3)4)15-9-7-2/h7,10-11H,2-3,6,8-9H2,1,4-5H3/b13-11+,14-10+
InChIKeyIPGBYQVGQUAPFW-CKNIOMRDSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.40
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 (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene?
The IUPAC name of (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene (CID 144935336) is (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene.
What is the SMILES notation for (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene?
The canonical SMILES for (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene is C=CCOC(/C=C(\C)CCC)=C/C(=C)C.
What is the InChIKey of (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene?
The InChIKey is IPGBYQVGQUAPFW-CKNIOMRDSA-N. The full InChI is InChI=1S/C14H22O/c1-6-8-13(5)11-14(10-12(3)4)15-9-7-2/h7,10-11H,2-3,6,8-9H2,1,4-5H3/b13-11+,14-10+.
What are the key properties of (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene?
(3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene has a molecular weight of 206.33 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,6-dimethyl-4-prop-2-enoxynona-1,3,5-triene is sourced from PubChem (CID 144935336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).