2-propylheptyl dihydrogen phosphite

C10H23O3P — CID 87359174

IUPAC2-propylheptyl dihydrogen phosphite
SMILESCCCCCC(CCC)COP(O)O
InChIInChI=1S/C10H23O3P/c1-3-5-6-8-10(7-4-2)9-13-14(11)12/h10-12H,3-9H2,1-2H3
InChIKeyAHQDKTVCIMHNFT-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.21
Rot. Bonds9

About 2-propylheptyl dihydrogen phosphite

2-propylheptyl dihydrogen phosphite (PubChem CID 87359174) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-propylheptyl dihydrogen phosphite.

Molecular Properties

Compound Name2-propylheptyl dihydrogen phosphite
PubChem CID87359174
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Name2-propylheptyl dihydrogen phosphite
SMILESCCCCCC(CCC)COP(O)O
InChIInChI=1S/C10H23O3P/c1-3-5-6-8-10(7-4-2)9-13-14(11)12/h10-12H,3-9H2,1-2H3
InChIKeyAHQDKTVCIMHNFT-UHFFFAOYSA-N
XLogP3.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.21
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

tris(2-hexyldecyl) phosphite
CID 22752938
4-(2-propylheptoxymethyl)nonane
CID 56652319
2-(2-propylnonoxy)ethanol
CID 168837428
4-(ethoxymethyl)nonane
CID 87066523
lithium;bis(2-ethyloctyl) hydrogen phosphite;hydride
CID 173436132
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
4-(butoxymethyl)nonane
CID 87066766
tris(2-propylheptyl) borate
CID 89239536
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787

Frequently Asked Questions

What is the IUPAC name of 2-propylheptyl dihydrogen phosphite?
The IUPAC name of 2-propylheptyl dihydrogen phosphite (CID 87359174) is 2-propylheptyl dihydrogen phosphite.
What is the SMILES notation for 2-propylheptyl dihydrogen phosphite?
The canonical SMILES for 2-propylheptyl dihydrogen phosphite is CCCCCC(CCC)COP(O)O.
What is the InChIKey of 2-propylheptyl dihydrogen phosphite?
The InChIKey is AHQDKTVCIMHNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-3-5-6-8-10(7-4-2)9-13-14(11)12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-propylheptyl dihydrogen phosphite?
2-propylheptyl dihydrogen phosphite has a molecular weight of 222.26 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylheptyl dihydrogen phosphite is sourced from PubChem (CID 87359174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).