tetrakis(cyclohexylidenecyclohexane);phenol

C54H86O — CID 158567545

IUPACtetrakis(cyclohexylidenecyclohexane);phenol
SMILESC1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.Oc1ccccc1
InChIInChI=1S/4C12H20.C6H6O/c4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h4*1-10H2;1-5,7H
InChIKeyHRRAFRCBOYADAS-UHFFFAOYSA-N
MW751.28 g/mol
LogP18.24
Rot. Bonds

About tetrakis(cyclohexylidenecyclohexane);phenol

tetrakis(cyclohexylidenecyclohexane);phenol (PubChem CID 158567545) has the molecular formula C54H86O and a molecular weight of 751.28 g/mol. Its IUPAC name is tetrakis(cyclohexylidenecyclohexane);phenol.

Molecular Properties

Compound Nametetrakis(cyclohexylidenecyclohexane);phenol
PubChem CID158567545
Molecular FormulaC54H86O
Molecular Weight751.28 g/mol
Exact Mass750.67
IUPAC Nametetrakis(cyclohexylidenecyclohexane);phenol
SMILESC1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.Oc1ccccc1
InChIInChI=1S/4C12H20.C6H6O/c4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h4*1-10H2;1-5,7H
InChIKeyHRRAFRCBOYADAS-UHFFFAOYSA-N
XLogP18.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.28
LogP ≤ 518.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 161001247
CID 161001247
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942

Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclohexylidenecyclohexane);phenol?
The IUPAC name of tetrakis(cyclohexylidenecyclohexane);phenol (CID 158567545) is tetrakis(cyclohexylidenecyclohexane);phenol.
What is the SMILES notation for tetrakis(cyclohexylidenecyclohexane);phenol?
The canonical SMILES for tetrakis(cyclohexylidenecyclohexane);phenol is C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.C1CCC(=C2CCCCC2)CC1.Oc1ccccc1.
What is the InChIKey of tetrakis(cyclohexylidenecyclohexane);phenol?
The InChIKey is HRRAFRCBOYADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H20.C6H6O/c4*1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h4*1-10H2;1-5,7H.
What are the key properties of tetrakis(cyclohexylidenecyclohexane);phenol?
tetrakis(cyclohexylidenecyclohexane);phenol has a molecular weight of 751.28 g/mol, XLogP of 18.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclohexylidenecyclohexane);phenol is sourced from PubChem (CID 158567545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).