4-dicyclopropyloxyphosphorylbutan-1-ol

C10H19O4P — CID 87672740

IUPAC4-dicyclopropyloxyphosphorylbutan-1-ol
SMILESO=P(CCCCO)(OC1CC1)OC1CC1
InChIInChI=1S/C10H19O4P/c11-7-1-2-8-15(12,13-9-3-4-9)14-10-5-6-10/h9-11H,1-8H2
InChIKeyULWSUPUXWMRGJF-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.31
Rot. Bonds8

About 4-dicyclopropyloxyphosphorylbutan-1-ol

4-dicyclopropyloxyphosphorylbutan-1-ol (PubChem CID 87672740) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-dicyclopropyloxyphosphorylbutan-1-ol.

Molecular Properties

Compound Name4-dicyclopropyloxyphosphorylbutan-1-ol
PubChem CID87672740
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name4-dicyclopropyloxyphosphorylbutan-1-ol
SMILESO=P(CCCCO)(OC1CC1)OC1CC1
InChIInChI=1S/C10H19O4P/c11-7-1-2-8-15(12,13-9-3-4-9)14-10-5-6-10/h9-11H,1-8H2
InChIKeyULWSUPUXWMRGJF-UHFFFAOYSA-N
XLogP2.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-dicyclohexyloxyphosphorylbutan-1-amine
CID 175191907
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
[1-[1,12-diphosphonododecoxy(11-hydroxyundecyl)phosphoryl]oxy-12-phosphonododecyl]phosphonic acid
CID 91224389
8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298
pentadecane-1,15-diol
CID 518994
hexane-1,6-diol;octane-1,8-diol
CID 21202869
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 4-dicyclopropyloxyphosphorylbutan-1-ol?
The IUPAC name of 4-dicyclopropyloxyphosphorylbutan-1-ol (CID 87672740) is 4-dicyclopropyloxyphosphorylbutan-1-ol.
What is the SMILES notation for 4-dicyclopropyloxyphosphorylbutan-1-ol?
The canonical SMILES for 4-dicyclopropyloxyphosphorylbutan-1-ol is O=P(CCCCO)(OC1CC1)OC1CC1.
What is the InChIKey of 4-dicyclopropyloxyphosphorylbutan-1-ol?
The InChIKey is ULWSUPUXWMRGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c11-7-1-2-8-15(12,13-9-3-4-9)14-10-5-6-10/h9-11H,1-8H2.
What are the key properties of 4-dicyclopropyloxyphosphorylbutan-1-ol?
4-dicyclopropyloxyphosphorylbutan-1-ol has a molecular weight of 234.23 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclopropyloxyphosphorylbutan-1-ol is sourced from PubChem (CID 87672740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).