(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene

C18H34O — CID 144971934

IUPAC(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene
SMILESC=CC(C)/C=C(\C)CCCCCCOC(C)(C)CC
InChIInChI=1S/C18H34O/c1-7-16(3)15-17(4)13-11-9-10-12-14-19-18(5,6)8-2/h7,15-16H,1,8-14H2,2-6H3/b17-15+
InChIKeyMAQYDJSWRXCLIE-BMRADRMJSA-N
MW266.47 g/mol
LogP5.91
Rot. Bonds11

About (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene

(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene (PubChem CID 144971934) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene.

Molecular Properties

Compound Name(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene
PubChem CID144971934
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene
SMILESC=CC(C)/C=C(\C)CCCCCCOC(C)(C)CC
InChIInChI=1S/C18H34O/c1-7-16(3)15-17(4)13-11-9-10-12-14-19-18(5,6)8-2/h7,15-16H,1,8-14H2,2-6H3/b17-15+
InChIKeyMAQYDJSWRXCLIE-BMRADRMJSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.91
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene?
The IUPAC name of (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene (CID 144971934) is (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene.
What is the SMILES notation for (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene?
The canonical SMILES for (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene is C=CC(C)/C=C(\C)CCCCCCOC(C)(C)CC.
What is the InChIKey of (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene?
The InChIKey is MAQYDJSWRXCLIE-BMRADRMJSA-N. The full InChI is InChI=1S/C18H34O/c1-7-16(3)15-17(4)13-11-9-10-12-14-19-18(5,6)8-2/h7,15-16H,1,8-14H2,2-6H3/b17-15+.
What are the key properties of (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene?
(4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene has a molecular weight of 266.47 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,5-dimethyl-11-(2-methylbutan-2-yloxy)undeca-1,4-diene is sourced from PubChem (CID 144971934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).