3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium

C10H25NO6P+ — CID 87114922

IUPAC3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium
SMILESCCCC(O)(CC)N(CCO)CCO.O=[P+](O)O
InChIInChI=1S/C10H23NO3.HO3P/c1-3-5-10(14,4-2)11(6-8-12)7-9-13;1-4(2)3/h12-14H,3-9H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyMKUKPZBJUGTRLN-UHFFFAOYSA-O
MW286.28 g/mol
LogP-0.20
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium

3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium (PubChem CID 87114922) has the molecular formula C10H25NO6P+ and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium
PubChem CID87114922
Molecular FormulaC10H25NO6P+
Molecular Weight286.28 g/mol
Exact Mass286.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium
SMILESCCCC(O)(CC)N(CCO)CCO.O=[P+](O)O
InChIInChI=1S/C10H23NO3.HO3P/c1-3-5-10(14,4-2)11(6-8-12)7-9-13;1-4(2)3/h12-14H,3-9H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyMKUKPZBJUGTRLN-UHFFFAOYSA-O
XLogP-0.20
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium (CID 87114922) is 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium is CCCC(O)(CC)N(CCO)CCO.O=[P+](O)O.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium?
The InChIKey is MKUKPZBJUGTRLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23NO3.HO3P/c1-3-5-10(14,4-2)11(6-8-12)7-9-13;1-4(2)3/h12-14H,3-9H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium?
3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium has a molecular weight of 286.28 g/mol, XLogP of -0.20, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]hexan-3-ol;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 87114922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).