butyl-trihydroxy-methyl-λ5-phosphane

C5H15O3P — CID 87283068

IUPACbutyl-trihydroxy-methyl-λ5-phosphane
SMILESCCCCP(C)(O)(O)O
InChIInChI=1S/C5H15O3P/c1-3-4-5-9(2,6,7)8/h6-8H,3-5H2,1-2H3
InChIKeyJSIKBXCPKMPZTN-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.69
Rot. Bonds3

About butyl-trihydroxy-methyl-λ5-phosphane

butyl-trihydroxy-methyl-λ5-phosphane (PubChem CID 87283068) has the molecular formula C5H15O3P and a molecular weight of 154.15 g/mol. Its IUPAC name is butyl-trihydroxy-methyl-λ5-phosphane.

Molecular Properties

Compound Namebutyl-trihydroxy-methyl-λ5-phosphane
PubChem CID87283068
Molecular FormulaC5H15O3P
Molecular Weight154.15 g/mol
Exact Mass154.08
IUPAC Namebutyl-trihydroxy-methyl-λ5-phosphane
SMILESCCCCP(C)(O)(O)O
InChIInChI=1S/C5H15O3P/c1-3-4-5-9(2,6,7)8/h6-8H,3-5H2,1-2H3
InChIKeyJSIKBXCPKMPZTN-UHFFFAOYSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trihydroxy-methyl-undecyl-λ5-phosphane
CID 87283197
hydroxysilane;tetrabutyl(hydroxy)-λ5-phosphane
CID 160702804
sodium;dibutyl(trihydroxy)-λ5-phosphane;hydride
CID 173127559
tetrabutyl-(tetrabutyl-λ5-phosphanyl)-λ5-phosphane
CID 173272787
hydroxy-trimethyl-propyl-λ5-phosphane
CID 140644824
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
molecular hydrogen;pentane
CID 173460731
tetrabutyl(fluoro)-lambda5-phosphane;dihydrofluoride
CID 14950742
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
butyl-triethyl-iodo-λ5-phosphane
CID 140527989
trimethyl-pentyl-silyl-λ5-phosphane
CID 174582124
bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033

Frequently Asked Questions

What is the IUPAC name of butyl-trihydroxy-methyl-λ5-phosphane?
The IUPAC name of butyl-trihydroxy-methyl-λ5-phosphane (CID 87283068) is butyl-trihydroxy-methyl-λ5-phosphane.
What is the SMILES notation for butyl-trihydroxy-methyl-λ5-phosphane?
The canonical SMILES for butyl-trihydroxy-methyl-λ5-phosphane is CCCCP(C)(O)(O)O.
What is the InChIKey of butyl-trihydroxy-methyl-λ5-phosphane?
The InChIKey is JSIKBXCPKMPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15O3P/c1-3-4-5-9(2,6,7)8/h6-8H,3-5H2,1-2H3.
What are the key properties of butyl-trihydroxy-methyl-λ5-phosphane?
butyl-trihydroxy-methyl-λ5-phosphane has a molecular weight of 154.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-trihydroxy-methyl-λ5-phosphane is sourced from PubChem (CID 87283068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).