[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene

C18H26 — CID 95240086

IUPAC[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
SMILESC=C(C)CCC[C@@H](C)CC/C=C/c1ccccc1
InChIInChI=1S/C18H26/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-6,8,13-15,17H,1,7,9-12H2,2-3H3/b15-8+/t17-/m0/s1
InChIKeyBCQUEYYAKXSCBS-BXUGYJKXSA-N
MW242.41 g/mol
LogP5.86
Rot. Bonds8

About [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene

[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene (PubChem CID 95240086) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene.

Molecular Properties

Compound Name[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
PubChem CID95240086
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene
SMILESC=C(C)CCC[C@@H](C)CC/C=C/c1ccccc1
InChIInChI=1S/C18H26/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-6,8,13-15,17H,1,7,9-12H2,2-3H3/b15-8+/t17-/m0/s1
InChIKeyBCQUEYYAKXSCBS-BXUGYJKXSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
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[(E)-5,5-diethoxypent-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene?
The IUPAC name of [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene (CID 95240086) is [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene.
What is the SMILES notation for [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene?
The canonical SMILES for [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene is C=C(C)CCC[C@@H](C)CC/C=C/c1ccccc1.
What is the InChIKey of [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene?
The InChIKey is BCQUEYYAKXSCBS-BXUGYJKXSA-N. The full InChI is InChI=1S/C18H26/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-6,8,13-15,17H,1,7,9-12H2,2-3H3/b15-8+/t17-/m0/s1.
What are the key properties of [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene?
[(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene has a molecular weight of 242.41 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,5R)-5,9-dimethyldeca-1,9-dienyl]benzene is sourced from PubChem (CID 95240086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).