bis(6-methylheptyl) hydrogen phosphite;1,2-xylene

C24H45O3P — CID 175467030

IUPACbis(6-methylheptyl) hydrogen phosphite;1,2-xylene
SMILESCC(C)CCCCCOP(O)OCCCCCC(C)C.Cc1ccccc1C
InChIInChI=1S/C16H35O3P.C8H10/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4;1-7-5-3-4-6-8(7)2/h15-17H,5-14H2,1-4H3;3-6H,1-2H3
InChIKeyUBSOJWJJYBXPEH-UHFFFAOYSA-N
MW412.60 g/mol
LogP7.98
Rot. Bonds14

About bis(6-methylheptyl) hydrogen phosphite;1,2-xylene

bis(6-methylheptyl) hydrogen phosphite;1,2-xylene (PubChem CID 175467030) has the molecular formula C24H45O3P and a molecular weight of 412.60 g/mol. Its IUPAC name is bis(6-methylheptyl) hydrogen phosphite;1,2-xylene.

Molecular Properties

Compound Namebis(6-methylheptyl) hydrogen phosphite;1,2-xylene
PubChem CID175467030
Molecular FormulaC24H45O3P
Molecular Weight412.60 g/mol
Exact Mass412.31
IUPAC Namebis(6-methylheptyl) hydrogen phosphite;1,2-xylene
SMILESCC(C)CCCCCOP(O)OCCCCCC(C)C.Cc1ccccc1C
InChIInChI=1S/C16H35O3P.C8H10/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4;1-7-5-3-4-6-8(7)2/h15-17H,5-14H2,1-4H3;3-6H,1-2H3
InChIKeyUBSOJWJJYBXPEH-UHFFFAOYSA-N
XLogP7.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 57.98
H-Bond Donors ≤ 51
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

[hydroxy(6-methylheptoxy)phosphanyl] 6-methylheptyl hydrogen phosphite
CID 88626572
phosphorous acid;tris(6-methylheptyl) phosphite
CID 87841257
7-methyloctyl 2-(2-methylphenyl)acetate
CID 140794921
bis(6-methylheptyl) hydrogen phosphite;4-methylsulfanylisoindole-1,3-dione
CID 70372822
8-methylnonyl phenyl phosphite
CID 154063362
6-methylheptyl 2-(2-methylphenoxy)acetate
CID 169099759
bis(98-methylnonanonacontyl) benzene-1,2-dicarboxylate
CID 87582689
6-(2-butyl-5-methylphenyl)tridecyl tridecyl hydrogen phosphite
CID 67914710
hydroxy-(11-methyldodecoxy)-(2-methylphenoxy)-bis(2-methylphenyl)-λ5-phosphane
CID 174641097
12,12-diphenyldodecyl phenyl hydrogen phosphite
CID 70542375
bis(7-methyloctyl) benzene-1,2-dicarboxylate;toluene
CID 174765738
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902

Frequently Asked Questions

What is the IUPAC name of bis(6-methylheptyl) hydrogen phosphite;1,2-xylene?
The IUPAC name of bis(6-methylheptyl) hydrogen phosphite;1,2-xylene (CID 175467030) is bis(6-methylheptyl) hydrogen phosphite;1,2-xylene.
What is the SMILES notation for bis(6-methylheptyl) hydrogen phosphite;1,2-xylene?
The canonical SMILES for bis(6-methylheptyl) hydrogen phosphite;1,2-xylene is CC(C)CCCCCOP(O)OCCCCCC(C)C.Cc1ccccc1C.
What is the InChIKey of bis(6-methylheptyl) hydrogen phosphite;1,2-xylene?
The InChIKey is UBSOJWJJYBXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O3P.C8H10/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4;1-7-5-3-4-6-8(7)2/h15-17H,5-14H2,1-4H3;3-6H,1-2H3.
What are the key properties of bis(6-methylheptyl) hydrogen phosphite;1,2-xylene?
bis(6-methylheptyl) hydrogen phosphite;1,2-xylene has a molecular weight of 412.60 g/mol, XLogP of 7.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methylheptyl) hydrogen phosphite;1,2-xylene is sourced from PubChem (CID 175467030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).