5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane

C19H39OP — CID 19826656

IUPAC5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
SMILESCCCCCCC(CC(C)C(C)C)(CC(C)C(C)C)P=O
InChIInChI=1S/C19H39OP/c1-8-9-10-11-12-19(21-20,13-17(6)15(2)3)14-18(7)16(4)5/h15-18H,8-14H2,1-7H3
InChIKeyLCIQUYVJIXQJIK-UHFFFAOYSA-N
MW314.49 g/mol
LogP7.35
Rot. Bonds12

About 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane

5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane (PubChem CID 19826656) has the molecular formula C19H39OP and a molecular weight of 314.49 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
PubChem CID19826656
Molecular FormulaC19H39OP
Molecular Weight314.49 g/mol
Exact Mass314.27
IUPAC Name5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
SMILESCCCCCCC(CC(C)C(C)C)(CC(C)C(C)C)P=O
InChIInChI=1S/C19H39OP/c1-8-9-10-11-12-19(21-20,13-17(6)15(2)3)14-18(7)16(4)5/h15-18H,8-14H2,1-7H3
InChIKeyLCIQUYVJIXQJIK-UHFFFAOYSA-N
XLogP7.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 57.35
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

2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane
CID 19774877
7-hexyl-7-phosphorosotetradecane
CID 54101700
3-ethyl-3-phosphorosotetradecane
CID 87266835
2,3-dimethylnonacosane
CID 71331945
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
9-ethenyl-9-phosphorosoheptadecane
CID 88748001
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane?
The IUPAC name of 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane (CID 19826656) is 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane.
What is the SMILES notation for 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane?
The canonical SMILES for 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane is CCCCCCC(CC(C)C(C)C)(CC(C)C(C)C)P=O.
What is the InChIKey of 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane?
The InChIKey is LCIQUYVJIXQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39OP/c1-8-9-10-11-12-19(21-20,13-17(6)15(2)3)14-18(7)16(4)5/h15-18H,8-14H2,1-7H3.
What are the key properties of 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane?
5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane has a molecular weight of 314.49 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane is sourced from PubChem (CID 19826656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).