2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene

C22H38O — CID 54527919

IUPAC2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene
SMILESCCCCC=CC=C(OC(=CC=CCCCC)C(C)C)C(C)C
InChIInChI=1S/C22H38O/c1-7-9-11-13-15-17-21(19(3)4)23-22(20(5)6)18-16-14-12-10-8-2/h13-20H,7-12H2,1-6H3
InChIKeyYUKIWEOAFZHLOD-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.58
Rot. Bonds12

About 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene

2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene (PubChem CID 54527919) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene.

Molecular Properties

Compound Name2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene
PubChem CID54527919
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene
SMILESCCCCC=CC=C(OC(=CC=CCCCC)C(C)C)C(C)C
InChIInChI=1S/C22H38O/c1-7-9-11-13-15-17-21(19(3)4)23-22(20(5)6)18-16-14-12-10-8-2/h13-20H,7-12H2,1-6H3
InChIKeyYUKIWEOAFZHLOD-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.58
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 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene?
The IUPAC name of 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene (CID 54527919) is 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene.
What is the SMILES notation for 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene?
The canonical SMILES for 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene is CCCCC=CC=C(OC(=CC=CCCCC)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene?
The InChIKey is YUKIWEOAFZHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-7-9-11-13-15-17-21(19(3)4)23-22(20(5)6)18-16-14-12-10-8-2/h13-20H,7-12H2,1-6H3.
What are the key properties of 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene?
2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene has a molecular weight of 318.55 g/mol, XLogP of 7.58, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyldeca-3,5-dien-3-yloxy)deca-3,5-diene is sourced from PubChem (CID 54527919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).