(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene

C18H32O — CID 89151509

IUPAC(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene
SMILESC=C(C)/C(C)=C/C(=C\CCCC(C)C)OCC(C)C
InChIInChI=1S/C18H32O/c1-14(2)10-8-9-11-18(19-13-15(3)4)12-17(7)16(5)6/h11-12,14-15H,5,8-10,13H2,1-4,6-7H3/b17-12+,18-11+
InChIKeyCGZVHFDMGAFRFK-VQVMMYKWSA-N
MW264.45 g/mol
LogP5.89
Rot. Bonds9

About (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene

(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene (PubChem CID 89151509) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene
PubChem CID89151509
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene
SMILESC=C(C)/C(C)=C/C(=C\CCCC(C)C)OCC(C)C
InChIInChI=1S/C18H32O/c1-14(2)10-8-9-11-18(19-13-15(3)4)12-17(7)16(5)6/h11-12,14-15H,5,8-10,13H2,1-4,6-7H3/b17-12+,18-11+
InChIKeyCGZVHFDMGAFRFK-VQVMMYKWSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.89
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene?
The IUPAC name of (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene (CID 89151509) is (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene.
What is the SMILES notation for (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene?
The canonical SMILES for (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene is C=C(C)/C(C)=C/C(=C\CCCC(C)C)OCC(C)C.
What is the InChIKey of (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene?
The InChIKey is CGZVHFDMGAFRFK-VQVMMYKWSA-N. The full InChI is InChI=1S/C18H32O/c1-14(2)10-8-9-11-18(19-13-15(3)4)12-17(7)16(5)6/h11-12,14-15H,5,8-10,13H2,1-4,6-7H3/b17-12+,18-11+.
What are the key properties of (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene?
(3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene has a molecular weight of 264.45 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,3,10-trimethyl-5-(2-methylpropoxy)undeca-1,3,5-triene is sourced from PubChem (CID 89151509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).