1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)

C23H23Y2- — CID 58516500

IUPAC1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)
SMILESCc1cccc(/C=C/[CH-]CC(C)c2cccc3ccccc23)c1.[Y].[Y]
InChIInChI=1S/C23H23.2Y/c1-18-9-7-12-20(17-18)11-4-3-10-19(2)22-16-8-14-21-13-5-6-15-23(21)22;;/h3-9,11-17,19H,10H2,1-2H3;;/q-1;;/b11-4+;;
InChIKeyGQOBJYNKDYXGPG-QKBHCULISA-N
MW477.25 g/mol
LogP6.55
Rot. Bonds5

About 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)

1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium) (PubChem CID 58516500) has the molecular formula C23H23Y2- and a molecular weight of 477.25 g/mol. Its IUPAC name is 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium).

Molecular Properties

Compound Name1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)
PubChem CID58516500
Molecular FormulaC23H23Y2-
Molecular Weight477.25 g/mol
Exact Mass476.99
IUPAC Name1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)
SMILESCc1cccc(/C=C/[CH-]CC(C)c2cccc3ccccc23)c1.[Y].[Y]
InChIInChI=1S/C23H23.2Y/c1-18-9-7-12-20(17-18)11-4-3-10-19(2)22-16-8-14-21-13-5-6-15-23(21)22;;/h3-9,11-17,19H,10H2,1-2H3;;/q-1;;/b11-4+;;
InChIKeyGQOBJYNKDYXGPG-QKBHCULISA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.25
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 58516502
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CID 158310697
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CID 102229934
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
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N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
2-(6-methylnaphthalen-1-yl)propan-1-ol
CID 105452929
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
CID 69118835
3-naphthalen-1-ylbutanoic acid
CID 43211329
1-(4-bromopentan-2-yl)naphthalene
CID 64720152

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)?
The IUPAC name of 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium) (CID 58516500) is 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium).
What is the SMILES notation for 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)?
The canonical SMILES for 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium) is Cc1cccc(/C=C/[CH-]CC(C)c2cccc3ccccc23)c1.[Y].[Y].
What is the InChIKey of 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)?
The InChIKey is GQOBJYNKDYXGPG-QKBHCULISA-N. The full InChI is InChI=1S/C23H23.2Y/c1-18-9-7-12-20(17-18)11-4-3-10-19(2)22-16-8-14-21-13-5-6-15-23(21)22;;/h3-9,11-17,19H,10H2,1-2H3;;/q-1;;/b11-4+;;.
What are the key properties of 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium)?
1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium) has a molecular weight of 477.25 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-(3-methylphenyl)hex-5-en-2-yl]naphthalene;bis(yttrium) is sourced from PubChem (CID 58516500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).