cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane

C30H45O2P — CID 175023032

IUPACcyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
SMILESC1CCC(C2CCCCC2)CC1.CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P
InChIInChI=1S/C18H23O2P.C12H22/c1-12(2)19-15-9-7-10-16(20-13(3)4)18(15)14-8-5-6-11-17(14)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-13H,21H2,1-4H3;11-12H,1-10H2
InChIKeyMNQBNNQNDDMNPV-UHFFFAOYSA-N
MW468.66 g/mol
LogP8.58
Rot. Bonds6

About cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane

cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane (PubChem CID 175023032) has the molecular formula C30H45O2P and a molecular weight of 468.66 g/mol. Its IUPAC name is cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namecyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
PubChem CID175023032
Molecular FormulaC30H45O2P
Molecular Weight468.66 g/mol
Exact Mass468.32
IUPAC Namecyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
SMILESC1CCC(C2CCCCC2)CC1.CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P
InChIInChI=1S/C18H23O2P.C12H22/c1-12(2)19-15-9-7-10-16(20-13(3)4)18(15)14-8-5-6-11-17(14)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-13H,21H2,1-4H3;11-12H,1-10H2
InChIKeyMNQBNNQNDDMNPV-UHFFFAOYSA-N
XLogP8.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The IUPAC name of cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane (CID 175023032) is cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane.
What is the SMILES notation for cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The canonical SMILES for cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane is C1CCC(C2CCCCC2)CC1.CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P.
What is the InChIKey of cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
The InChIKey is MNQBNNQNDDMNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P.C12H22/c1-12(2)19-15-9-7-10-16(20-13(3)4)18(15)14-8-5-6-11-17(14)21;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h5-13H,21H2,1-4H3;11-12H,1-10H2.
What are the key properties of cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane?
cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane has a molecular weight of 468.66 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane is sourced from PubChem (CID 175023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).