cyclohexyl phenyl undecyl phosphite

C23H39O3P — CID 101312055

IUPACcyclohexyl phenyl undecyl phosphite
SMILESCCCCCCCCCCCOP(Oc1ccccc1)OC1CCCCC1
InChIInChI=1S/C23H39O3P/c1-2-3-4-5-6-7-8-9-16-21-24-27(25-22-17-12-10-13-18-22)26-23-19-14-11-15-20-23/h10,12-13,17-18,23H,2-9,11,14-16,19-21H2,1H3
InChIKeyBSHAOWBIGJNYFB-UHFFFAOYSA-N
MW394.54 g/mol
LogP8.19
Rot. Bonds15

About cyclohexyl phenyl undecyl phosphite

cyclohexyl phenyl undecyl phosphite (PubChem CID 101312055) has the molecular formula C23H39O3P and a molecular weight of 394.54 g/mol. Its IUPAC name is cyclohexyl phenyl undecyl phosphite.

Molecular Properties

Compound Namecyclohexyl phenyl undecyl phosphite
PubChem CID101312055
Molecular FormulaC23H39O3P
Molecular Weight394.54 g/mol
Exact Mass394.26
IUPAC Namecyclohexyl phenyl undecyl phosphite
SMILESCCCCCCCCCCCOP(Oc1ccccc1)OC1CCCCC1
InChIInChI=1S/C23H39O3P/c1-2-3-4-5-6-7-8-9-16-21-24-27(25-22-17-12-10-13-18-22)26-23-19-14-11-15-20-23/h10,12-13,17-18,23H,2-9,11,14-16,19-21H2,1H3
InChIKeyBSHAOWBIGJNYFB-UHFFFAOYSA-N
XLogP8.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite
CID 101311988
cyclohexyl pentyl hydrogen phosphite
CID 174258819
diphenyl tridecyl phosphite;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 159110156
(1,1-dibenzylpiperidin-1-ium-4-yl) hexadecyl methyl phosphite
CID 143491026
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
bis(3-dodecoxy-2-hydroxypropyl) phenyl phosphite
CID 54054497
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056

Frequently Asked Questions

What is the IUPAC name of cyclohexyl phenyl undecyl phosphite?
The IUPAC name of cyclohexyl phenyl undecyl phosphite (CID 101312055) is cyclohexyl phenyl undecyl phosphite.
What is the SMILES notation for cyclohexyl phenyl undecyl phosphite?
The canonical SMILES for cyclohexyl phenyl undecyl phosphite is CCCCCCCCCCCOP(Oc1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl phenyl undecyl phosphite?
The InChIKey is BSHAOWBIGJNYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39O3P/c1-2-3-4-5-6-7-8-9-16-21-24-27(25-22-17-12-10-13-18-22)26-23-19-14-11-15-20-23/h10,12-13,17-18,23H,2-9,11,14-16,19-21H2,1H3.
What are the key properties of cyclohexyl phenyl undecyl phosphite?
cyclohexyl phenyl undecyl phosphite has a molecular weight of 394.54 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl phenyl undecyl phosphite is sourced from PubChem (CID 101312055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).