2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane

C24H49OP — CID 19774877

IUPAC2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane
SMILESCCCCCCCC(CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)P=O
InChIInChI=1S/C24H49OP/c1-10-11-12-13-14-15-24(26-25,18-20(2)16-22(4,5)6)19-21(3)17-23(7,8)9/h20-21H,10-19H2,1-9H3
InChIKeyADNCSASEOLVIPP-UHFFFAOYSA-N
MW384.63 g/mol
LogP9.30
Rot. Bonds13

About 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane

2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane (PubChem CID 19774877) has the molecular formula C24H49OP and a molecular weight of 384.63 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane.

Molecular Properties

Compound Name2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane
PubChem CID19774877
Molecular FormulaC24H49OP
Molecular Weight384.63 g/mol
Exact Mass384.35
IUPAC Name2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane
SMILESCCCCCCCC(CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)P=O
InChIInChI=1S/C24H49OP/c1-10-11-12-13-14-15-24(26-25,18-20(2)16-22(4,5)6)19-21(3)17-23(7,8)9/h20-21H,10-19H2,1-9H3
InChIKeyADNCSASEOLVIPP-UHFFFAOYSA-N
XLogP9.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
CID 19826656
7-hexyl-7-phosphorosotetradecane
CID 54101700
3-ethyl-3-phosphorosotetradecane
CID 87266835
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886
hexane;2,2,4-trimethyloctane
CID 174278610
pentacontane;2,2,4-trimethylpentane
CID 174882537
2,2,5-trimethyldodecane
CID 54169953
2,2,4-trimethyl-7-(2,2,4-trimethylhexadecan-7-ylperoxy)hexadecane
CID 151128370
pentane;7,7,9-trimethylpentadecane
CID 161309819
6,6,8-trimethyltridecane
CID 123736183

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane?
The IUPAC name of 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane (CID 19774877) is 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane.
What is the SMILES notation for 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane?
The canonical SMILES for 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane is CCCCCCCC(CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)P=O.
What is the InChIKey of 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane?
The InChIKey is ADNCSASEOLVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49OP/c1-10-11-12-13-14-15-24(26-25,18-20(2)16-22(4,5)6)19-21(3)17-23(7,8)9/h20-21H,10-19H2,1-9H3.
What are the key properties of 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane?
2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane has a molecular weight of 384.63 g/mol, XLogP of 9.30, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane is sourced from PubChem (CID 19774877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).