2-methyltridecan-4-yl dihydrogen phosphite

C14H31O3P — CID 154375180

IUPAC2-methyltridecan-4-yl dihydrogen phosphite
SMILESCCCCCCCCCC(CC(C)C)OP(O)O
InChIInChI=1S/C14H31O3P/c1-4-5-6-7-8-9-10-11-14(12-13(2)3)17-18(15)16/h13-16H,4-12H2,1-3H3
InChIKeyLIARFQDGDDXNFW-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.77
Rot. Bonds12

About 2-methyltridecan-4-yl dihydrogen phosphite

2-methyltridecan-4-yl dihydrogen phosphite (PubChem CID 154375180) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-methyltridecan-4-yl dihydrogen phosphite.

Molecular Properties

Compound Name2-methyltridecan-4-yl dihydrogen phosphite
PubChem CID154375180
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Name2-methyltridecan-4-yl dihydrogen phosphite
SMILESCCCCCCCCCC(CC(C)C)OP(O)O
InChIInChI=1S/C14H31O3P/c1-4-5-6-7-8-9-10-11-14(12-13(2)3)17-18(15)16/h13-16H,4-12H2,1-3H3
InChIKeyLIARFQDGDDXNFW-UHFFFAOYSA-N
XLogP4.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.77
H-Bond Donors ≤ 52
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

octadecan-3-yl dihydrogen phosphite
CID 87219240
4-methoxy-2-methyltridecane
CID 150137637
ditetracosan-12-yl hydrogen phosphite
CID 23465328
2-(2-methylnonan-4-yloxy)ethanol
CID 142712556
tripentadecan-6-yl phosphite
CID 87207088
2-methylnonan-4-yl 2,2-dimethylpropanoate
CID 140617078
(4S)-2,4-dimethylicosane
CID 134952934
2,4-dimethyltetradecane
CID 53423723
1-octadecan-9-yloxyethanol
CID 167496272
19-(7-methyloctyl)heptatriacontan-19-yl dihydrogen phosphite
CID 141190612
6-tricosan-6-yloxytricosane
CID 57279617
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918

Frequently Asked Questions

What is the IUPAC name of 2-methyltridecan-4-yl dihydrogen phosphite?
The IUPAC name of 2-methyltridecan-4-yl dihydrogen phosphite (CID 154375180) is 2-methyltridecan-4-yl dihydrogen phosphite.
What is the SMILES notation for 2-methyltridecan-4-yl dihydrogen phosphite?
The canonical SMILES for 2-methyltridecan-4-yl dihydrogen phosphite is CCCCCCCCCC(CC(C)C)OP(O)O.
What is the InChIKey of 2-methyltridecan-4-yl dihydrogen phosphite?
The InChIKey is LIARFQDGDDXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-4-5-6-7-8-9-10-11-14(12-13(2)3)17-18(15)16/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-methyltridecan-4-yl dihydrogen phosphite?
2-methyltridecan-4-yl dihydrogen phosphite has a molecular weight of 278.37 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridecan-4-yl dihydrogen phosphite is sourced from PubChem (CID 154375180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).