[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite

C67H118O6P2 — CID 101311988

IUPAC[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite
SMILESCCCCCCCCCCOP(Oc1ccccc1CCCCCCCCCC)OC1CCC(C(C)(C)C2CCC(OP(OCCCCCCCCCC)Oc3ccccc3CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C67H118O6P2/c1-7-11-15-19-23-27-31-35-43-59-45-37-39-47-65(59)72-74(68-57-41-33-29-25-21-17-13-9-3)70-63-53-49-61(50-54-63)67(5,6)62-51-55-64(56-52-62)71-75(69-58-42-34-30-26-22-18-14-10-4)73-66-48-40-38-46-60(66)44-36-32-28-24-20-16-12-8-2/h37-40,45-48,61-64H,7-36,41-44,49-58H2,1-6H3
InChIKeyMMTGAOMPBISFSI-UHFFFAOYSA-N
MW1081.62 g/mol
LogP23.46
Rot. Bonds48

About [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite

[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite (PubChem CID 101311988) has the molecular formula C67H118O6P2 and a molecular weight of 1081.62 g/mol. Its IUPAC name is [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite.

Molecular Properties

Compound Name[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite
PubChem CID101311988
Molecular FormulaC67H118O6P2
Molecular Weight1081.62 g/mol
Exact Mass1080.84
IUPAC Name[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite
SMILESCCCCCCCCCCOP(Oc1ccccc1CCCCCCCCCC)OC1CCC(C(C)(C)C2CCC(OP(OCCCCCCCCCC)Oc3ccccc3CCCCCCCCCC)CC2)CC1
InChIInChI=1S/C67H118O6P2/c1-7-11-15-19-23-27-31-35-43-59-45-37-39-47-65(59)72-74(68-57-41-33-29-25-21-17-13-9-3)70-63-53-49-61(50-54-63)67(5,6)62-51-55-64(56-52-62)71-75(69-58-42-34-30-26-22-18-14-10-4)73-66-48-40-38-46-60(66)44-36-32-28-24-20-16-12-8-2/h37-40,45-48,61-64H,7-36,41-44,49-58H2,1-6H3
InChIKeyMMTGAOMPBISFSI-UHFFFAOYSA-N
XLogP23.46
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds48
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.62
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[4-[2-(4-dioctoxyphosphanyloxycyclohexyl)propan-2-yl]cyclohexyl] dioctyl phosphite
CID 101312041
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
cyclohexyl phenyl undecyl phosphite
CID 101312055
1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687
dicyclohexyl hydrogen phosphite;(2-pentylphenyl) dihydrogen phosphite
CID 158541256
[2,3-di(nonyl)phenyl] nonyl phenyl phosphite
CID 18964056
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
bis(2-decylphenyl) phenyl phosphite
CID 67947899
bis(2-nonylphenyl) hydrogen phosphite
CID 14876803
dihydroxyphosphanyl (2-nonylphenyl) hydrogen phosphite
CID 154111856
1-decyl-2-ethoxybenzene
CID 175243335

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite?
The IUPAC name of [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite (CID 101311988) is [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite.
What is the SMILES notation for [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite?
The canonical SMILES for [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite is CCCCCCCCCCOP(Oc1ccccc1CCCCCCCCCC)OC1CCC(C(C)(C)C2CCC(OP(OCCCCCCCCCC)Oc3ccccc3CCCCCCCCCC)CC2)CC1.
What is the InChIKey of [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite?
The InChIKey is MMTGAOMPBISFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H118O6P2/c1-7-11-15-19-23-27-31-35-43-59-45-37-39-47-65(59)72-74(68-57-41-33-29-25-21-17-13-9-3)70-63-53-49-61(50-54-63)67(5,6)62-51-55-64(56-52-62)71-75(69-58-42-34-30-26-22-18-14-10-4)73-66-48-40-38-46-60(66)44-36-32-28-24-20-16-12-8-2/h37-40,45-48,61-64H,7-36,41-44,49-58H2,1-6H3.
What are the key properties of [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite?
[4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite has a molecular weight of 1081.62 g/mol, XLogP of 23.46, 48 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[decoxy-(2-decylphenoxy)phosphanyl]oxycyclohexyl]propan-2-yl]cyclohexyl] decyl (2-decylphenyl) phosphite is sourced from PubChem (CID 101311988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).