dibutylphosphorylmethanol

C9H21O2P — CID 5219006

IUPACdibutylphosphorylmethanol
SMILESCCCCP(=O)(CO)CCCC
InChIInChI=1S/C9H21O2P/c1-3-5-7-12(11,9-10)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyXBHCLWVHSZNCRH-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.90
Rot. Bonds7

About dibutylphosphorylmethanol

dibutylphosphorylmethanol (PubChem CID 5219006) has the molecular formula C9H21O2P and a molecular weight of 192.24 g/mol. Its IUPAC name is dibutylphosphorylmethanol.

Molecular Properties

Compound Namedibutylphosphorylmethanol
PubChem CID5219006
Molecular FormulaC9H21O2P
Molecular Weight192.24 g/mol
Exact Mass192.13
IUPAC Namedibutylphosphorylmethanol
SMILESCCCCP(=O)(CO)CCCC
InChIInChI=1S/C9H21O2P/c1-3-5-7-12(11,9-10)8-6-4-2/h10H,3-9H2,1-2H3
InChIKeyXBHCLWVHSZNCRH-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipropylphosphorylmethanol
CID 18981637
CID 172720905
CID 172720905
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
CID 89306365
8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
2-[hexacosyl(2-hydroxyethyl)phosphoryl]ethanol
CID 172735074
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
butyl(methyl)phosphinic acid
CID 10909622
butylphosphonic acid;neodymium
CID 134499527
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440

Frequently Asked Questions

What is the IUPAC name of dibutylphosphorylmethanol?
The IUPAC name of dibutylphosphorylmethanol (CID 5219006) is dibutylphosphorylmethanol.
What is the SMILES notation for dibutylphosphorylmethanol?
The canonical SMILES for dibutylphosphorylmethanol is CCCCP(=O)(CO)CCCC.
What is the InChIKey of dibutylphosphorylmethanol?
The InChIKey is XBHCLWVHSZNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2P/c1-3-5-7-12(11,9-10)8-6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of dibutylphosphorylmethanol?
dibutylphosphorylmethanol has a molecular weight of 192.24 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylphosphorylmethanol is sourced from PubChem (CID 5219006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).