ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)

C25H30OU — CID 176660894

IUPACethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)
SMILESCC.CC1=CC(c2[c-]cc(/C=C/c3ccccc3)cc2O)CCC1.[H][C-]=C.[U+2]
InChIInChI=1S/C21H21O.C2H6.C2H3.U/c1-16-6-5-9-19(14-16)20-13-12-18(15-21(20)22)11-10-17-7-3-2-4-8-17;2*1-2;/h2-4,7-8,10-12,14-15,19,22H,5-6,9H2,1H3;1-2H3;1H,2H2;/q-1;;-1;+2/b11-10+;;;
InChIKeyVPWUYDOSCFFYBH-QFVIODRTSA-N
MW584.54 g/mol
LogP7.21
Rot. Bonds3

About ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)

ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+) (PubChem CID 176660894) has the molecular formula C25H30OU and a molecular weight of 584.54 g/mol. Its IUPAC name is ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+).

Molecular Properties

Compound Nameethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)
PubChem CID176660894
Molecular FormulaC25H30OU
Molecular Weight584.54 g/mol
Exact Mass584.28
IUPAC Nameethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)
SMILESCC.CC1=CC(c2[c-]cc(/C=C/c3ccccc3)cc2O)CCC1.[H][C-]=C.[U+2]
InChIInChI=1S/C21H21O.C2H6.C2H3.U/c1-16-6-5-9-19(14-16)20-13-12-18(15-21(20)22)11-10-17-7-3-2-4-8-17;2*1-2;/h2-4,7-8,10-12,14-15,19,22H,5-6,9H2,1H3;1-2H3;1H,2H2;/q-1;;-1;+2/b11-10+;;;
InChIKeyVPWUYDOSCFFYBH-QFVIODRTSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.54
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)?
The IUPAC name of ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+) (CID 176660894) is ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+).
What is the SMILES notation for ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)?
The canonical SMILES for ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+) is CC.CC1=CC(c2[c-]cc(/C=C/c3ccccc3)cc2O)CCC1.[H][C-]=C.[U+2].
What is the InChIKey of ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)?
The InChIKey is VPWUYDOSCFFYBH-QFVIODRTSA-N. The full InChI is InChI=1S/C21H21O.C2H6.C2H3.U/c1-16-6-5-9-19(14-16)20-13-12-18(15-21(20)22)11-10-17-7-3-2-4-8-17;2*1-2;/h2-4,7-8,10-12,14-15,19,22H,5-6,9H2,1H3;1-2H3;1H,2H2;/q-1;;-1;+2/b11-10+;;;.
What are the key properties of ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+)?
ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+) has a molecular weight of 584.54 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-(3-methylcyclohex-2-en-1-yl)-5-[(E)-2-phenylethenyl]benzene-3-id-1-ol;uranium(2+) is sourced from PubChem (CID 176660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).