1-butoxyphosphanylpropane-1,3-diol

C7H17O3P — CID 87671511

IUPAC1-butoxyphosphanylpropane-1,3-diol
SMILESCCCCOPC(O)CCO
InChIInChI=1S/C7H17O3P/c1-2-3-6-10-11-7(9)4-5-8/h7-9,11H,2-6H2,1H3
InChIKeySTBCBZYOXWEMGJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.10
Rot. Bonds7

About 1-butoxyphosphanylpropane-1,3-diol

1-butoxyphosphanylpropane-1,3-diol (PubChem CID 87671511) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-butoxyphosphanylpropane-1,3-diol.

Molecular Properties

Compound Name1-butoxyphosphanylpropane-1,3-diol
PubChem CID87671511
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-butoxyphosphanylpropane-1,3-diol
SMILESCCCCOPC(O)CCO
InChIInChI=1S/C7H17O3P/c1-2-3-6-10-11-7(9)4-5-8/h7-9,11H,2-6H2,1H3
InChIKeySTBCBZYOXWEMGJ-UHFFFAOYSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.10
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

1-butoxyphosphanyloxybutan-1-ol
CID 141159263
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
butoxy-ethyl-hydroxy-(2-hydroxyethyl)phosphanium
CID 141259736
1-methoxyphosphanylbutane-1,4-diol
CID 87673405
1-butoxyoctane-1,8-diol
CID 87774765
1-amino-3-butoxypropan-1-ol
CID 57047625
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
butan-2-ol;2-butoxyethanol
CID 118377400
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
butoxy(fluoro)phosphane
CID 142269734
butan-1-ol;1-butoxybutane
CID 19700093
2-butoxyethanol
CID 8133

Frequently Asked Questions

What is the IUPAC name of 1-butoxyphosphanylpropane-1,3-diol?
The IUPAC name of 1-butoxyphosphanylpropane-1,3-diol (CID 87671511) is 1-butoxyphosphanylpropane-1,3-diol.
What is the SMILES notation for 1-butoxyphosphanylpropane-1,3-diol?
The canonical SMILES for 1-butoxyphosphanylpropane-1,3-diol is CCCCOPC(O)CCO.
What is the InChIKey of 1-butoxyphosphanylpropane-1,3-diol?
The InChIKey is STBCBZYOXWEMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-2-3-6-10-11-7(9)4-5-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-butoxyphosphanylpropane-1,3-diol?
1-butoxyphosphanylpropane-1,3-diol has a molecular weight of 180.18 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyphosphanylpropane-1,3-diol is sourced from PubChem (CID 87671511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).