(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium

C16H20NOYb- — CID 59114757

IUPAC(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium
SMILESC/C(=C/O)c1ccccc1N=C1CC[C-](C)CC1.[Yb]
InChIInChI=1S/C16H20NO.Yb/c1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18;/h3-6,11,18H,7-10H2,1-2H3;/q-1;/b13-11-;
InChIKeyNYJHDRPAOULLSV-KEHAOADBSA-N
MW415.38 g/mol
LogP4.85
Rot. Bonds2

About (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium

(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium (PubChem CID 59114757) has the molecular formula C16H20NOYb- and a molecular weight of 415.38 g/mol. Its IUPAC name is (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium.

Molecular Properties

Compound Name(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium
PubChem CID59114757
Molecular FormulaC16H20NOYb-
Molecular Weight415.38 g/mol
Exact Mass416.09
IUPAC Name(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium
SMILESC/C(=C/O)c1ccccc1N=C1CC[C-](C)CC1.[Yb]
InChIInChI=1S/C16H20NO.Yb/c1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18;/h3-6,11,18H,7-10H2,1-2H3;/q-1;/b13-11-;
InChIKeyNYJHDRPAOULLSV-KEHAOADBSA-N
XLogP4.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium?
The IUPAC name of (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium (CID 59114757) is (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium.
What is the SMILES notation for (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium?
The canonical SMILES for (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium is C/C(=C/O)c1ccccc1N=C1CC[C-](C)CC1.[Yb].
What is the InChIKey of (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium?
The InChIKey is NYJHDRPAOULLSV-KEHAOADBSA-N. The full InChI is InChI=1S/C16H20NO.Yb/c1-12-7-9-14(10-8-12)17-16-6-4-3-5-15(16)13(2)11-18;/h3-6,11,18H,7-10H2,1-2H3;/q-1;/b13-11-;.
What are the key properties of (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium?
(Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium has a molecular weight of 415.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[(4-methylcyclohexylidene)amino]phenyl]prop-1-en-1-ol;ytterbium is sourced from PubChem (CID 59114757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).