benzene;tricyclohexyl phosphite

C24H39O3P — CID 70561522

IUPACbenzene;tricyclohexyl phosphite
SMILESC1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.c1ccccc1
InChIInChI=1S/C18H33O3P.C6H6/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-4-6-5-3-1/h16-18H,1-15H2;1-6H
InChIKeyZGXBLUTZGFJCRK-UHFFFAOYSA-N
MW406.55 g/mol
LogP7.95
Rot. Bonds6

About benzene;tricyclohexyl phosphite

benzene;tricyclohexyl phosphite (PubChem CID 70561522) has the molecular formula C24H39O3P and a molecular weight of 406.55 g/mol. Its IUPAC name is benzene;tricyclohexyl phosphite.

Molecular Properties

Compound Namebenzene;tricyclohexyl phosphite
PubChem CID70561522
Molecular FormulaC24H39O3P
Molecular Weight406.55 g/mol
Exact Mass406.26
IUPAC Namebenzene;tricyclohexyl phosphite
SMILESC1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.c1ccccc1
InChIInChI=1S/C18H33O3P.C6H6/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-4-6-5-3-1/h16-18H,1-15H2;1-6H
InChIKeyZGXBLUTZGFJCRK-UHFFFAOYSA-N
XLogP7.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tricyclododecyl phosphite
CID 126731698
tricyclooctyl phosphite
CID 67250015
nickel;tetrakis(tricyclohexyl phosphite)
CID 173453545
dichloro(cyclododecyloxy)phosphane
CID 54169601
antimony(3+);tris(dicyclohexyl phosphite)
CID 23464194
tetrakis(2-chloroethyl dicyclohexyl phosphite);nickel
CID 173453554
cyclohexyl phenyl undecyl phosphite
CID 101312055
cyclohexyl phosphite;ethene
CID 22165796
benzene;cyclohexylcyclohexane
CID 160520949
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
di(cyclobutyloxy)-(2-phenylethyl)phosphane
CID 141159211
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812

Frequently Asked Questions

What is the IUPAC name of benzene;tricyclohexyl phosphite?
The IUPAC name of benzene;tricyclohexyl phosphite (CID 70561522) is benzene;tricyclohexyl phosphite.
What is the SMILES notation for benzene;tricyclohexyl phosphite?
The canonical SMILES for benzene;tricyclohexyl phosphite is C1CCC(OP(OC2CCCCC2)OC2CCCCC2)CC1.c1ccccc1.
What is the InChIKey of benzene;tricyclohexyl phosphite?
The InChIKey is ZGXBLUTZGFJCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O3P.C6H6/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-4-6-5-3-1/h16-18H,1-15H2;1-6H.
What are the key properties of benzene;tricyclohexyl phosphite?
benzene;tricyclohexyl phosphite has a molecular weight of 406.55 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tricyclohexyl phosphite is sourced from PubChem (CID 70561522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).