(dodecylamino) bis(6-methylheptyl) phosphite

C28H60NO3P — CID 175403523

IUPAC(dodecylamino) bis(6-methylheptyl) phosphite
SMILESCCCCCCCCCCCCNOP(OCCCCCC(C)C)OCCCCCC(C)C
InChIInChI=1S/C28H60NO3P/c1-6-7-8-9-10-11-12-13-14-19-24-29-32-33(30-25-20-15-17-22-27(2)3)31-26-21-16-18-23-28(4)5/h27-29H,6-26H2,1-5H3
InChIKeyCDAWTBDSTDXUFJ-UHFFFAOYSA-N
MW489.77 g/mol
LogP10.12
Rot. Bonds27

About (dodecylamino) bis(6-methylheptyl) phosphite

(dodecylamino) bis(6-methylheptyl) phosphite (PubChem CID 175403523) has the molecular formula C28H60NO3P and a molecular weight of 489.77 g/mol. Its IUPAC name is (dodecylamino) bis(6-methylheptyl) phosphite.

Molecular Properties

Compound Name(dodecylamino) bis(6-methylheptyl) phosphite
PubChem CID175403523
Molecular FormulaC28H60NO3P
Molecular Weight489.77 g/mol
Exact Mass489.43
IUPAC Name(dodecylamino) bis(6-methylheptyl) phosphite
SMILESCCCCCCCCCCCCNOP(OCCCCCC(C)C)OCCCCCC(C)C
InChIInChI=1S/C28H60NO3P/c1-6-7-8-9-10-11-12-13-14-19-24-29-32-33(30-25-20-15-17-22-27(2)3)31-26-21-16-18-23-28(4)5/h27-29H,6-26H2,1-5H3
InChIKeyCDAWTBDSTDXUFJ-UHFFFAOYSA-N
XLogP10.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.77
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phosphorous acid;tris(6-methylheptyl) phosphite
CID 87841257
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
triheptadecyl phosphite
CID 23435031
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
hydroxylamine;2-methylnonadecane
CID 87902402
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811

Frequently Asked Questions

What is the IUPAC name of (dodecylamino) bis(6-methylheptyl) phosphite?
The IUPAC name of (dodecylamino) bis(6-methylheptyl) phosphite (CID 175403523) is (dodecylamino) bis(6-methylheptyl) phosphite.
What is the SMILES notation for (dodecylamino) bis(6-methylheptyl) phosphite?
The canonical SMILES for (dodecylamino) bis(6-methylheptyl) phosphite is CCCCCCCCCCCCNOP(OCCCCCC(C)C)OCCCCCC(C)C.
What is the InChIKey of (dodecylamino) bis(6-methylheptyl) phosphite?
The InChIKey is CDAWTBDSTDXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60NO3P/c1-6-7-8-9-10-11-12-13-14-19-24-29-32-33(30-25-20-15-17-22-27(2)3)31-26-21-16-18-23-28(4)5/h27-29H,6-26H2,1-5H3.
What are the key properties of (dodecylamino) bis(6-methylheptyl) phosphite?
(dodecylamino) bis(6-methylheptyl) phosphite has a molecular weight of 489.77 g/mol, XLogP of 10.12, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dodecylamino) bis(6-methylheptyl) phosphite is sourced from PubChem (CID 175403523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).