carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)

C24H38O2Y2-2 — CID 162206611

IUPACcarbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)
SMILESC/C=C/c1ccccc1O.C=CCc1ccccc1O.CC.CC.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C9H10O.2C2H6.2CH3.2Y/c2*1-2-5-8-6-3-4-7-9(8)10;2*1-2;;;;/h2-7,10H,1H3;2-4,6-7,10H,1,5H2;2*1-2H3;2*1H3;;/q;;;;2*-1;;/b5-2+;;;;;;;
InChIKeyLCDJWSFQKOSNJB-QFCIVVKBSA-N
MW536.38 g/mol
LogP7.49
Rot. Bonds3

About carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)

carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium) (PubChem CID 162206611) has the molecular formula C24H38O2Y2-2 and a molecular weight of 536.38 g/mol. Its IUPAC name is carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)
PubChem CID162206611
Molecular FormulaC24H38O2Y2-2
Molecular Weight536.38 g/mol
Exact Mass536.10
IUPAC Namecarbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)
SMILESC/C=C/c1ccccc1O.C=CCc1ccccc1O.CC.CC.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C9H10O.2C2H6.2CH3.2Y/c2*1-2-5-8-6-3-4-7-9(8)10;2*1-2;;;;/h2-7,10H,1H3;2-4,6-7,10H,1,5H2;2*1-2H3;2*1H3;;/q;;;;2*-1;;/b5-2+;;;;;;;
InChIKeyLCDJWSFQKOSNJB-QFCIVVKBSA-N
XLogP7.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.38
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)?
The IUPAC name of carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium) (CID 162206611) is carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium).
What is the SMILES notation for carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)?
The canonical SMILES for carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium) is C/C=C/c1ccccc1O.C=CCc1ccccc1O.CC.CC.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)?
The InChIKey is LCDJWSFQKOSNJB-QFCIVVKBSA-N. The full InChI is InChI=1S/2C9H10O.2C2H6.2CH3.2Y/c2*1-2-5-8-6-3-4-7-9(8)10;2*1-2;;;;/h2-7,10H,1H3;2-4,6-7,10H,1,5H2;2*1-2H3;2*1H3;;/q;;;;2*-1;;/b5-2+;;;;;;;.
What are the key properties of carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)?
carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium) has a molecular weight of 536.38 g/mol, XLogP of 7.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium) is sourced from PubChem (CID 162206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).