ethyl-hexoxy-dihydroxyphosphanium

C8H20O3P+ — CID 170563061

IUPACethyl-hexoxy-dihydroxyphosphanium
SMILESCCCCCCO[P+](O)(O)CC
InChIInChI=1S/C8H20O3P/c1-3-5-6-7-8-11-12(9,10)4-2/h9-10H,3-8H2,1-2H3/q+1
InChIKeyBJGGQJPNWOQJKO-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.35
Rot. Bonds7

About ethyl-hexoxy-dihydroxyphosphanium

ethyl-hexoxy-dihydroxyphosphanium (PubChem CID 170563061) has the molecular formula C8H20O3P+ and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl-hexoxy-dihydroxyphosphanium.

Molecular Properties

Compound Nameethyl-hexoxy-dihydroxyphosphanium
PubChem CID170563061
Molecular FormulaC8H20O3P+
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Nameethyl-hexoxy-dihydroxyphosphanium
SMILESCCCCCCO[P+](O)(O)CC
InChIInChI=1S/C8H20O3P/c1-3-5-6-7-8-11-12(9,10)4-2/h9-10H,3-8H2,1-2H3/q+1
InChIKeyBJGGQJPNWOQJKO-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.35
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-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
icosoxymethanediol
CID 175975847
1-heptacontoxyethanol
CID 169098461
di(icosoxy)-disulfidophosphanium
CID 136913649
1-pentan-3-yloxydecane
CID 173279604
hexoxy-octoxy-bis(sulfanyl)phosphanium
CID 166989108
1-pentoxyethanol
CID 19598527
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
1-undecoxybutan-1-ol
CID 139971924
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855

Frequently Asked Questions

What is the IUPAC name of ethyl-hexoxy-dihydroxyphosphanium?
The IUPAC name of ethyl-hexoxy-dihydroxyphosphanium (CID 170563061) is ethyl-hexoxy-dihydroxyphosphanium.
What is the SMILES notation for ethyl-hexoxy-dihydroxyphosphanium?
The canonical SMILES for ethyl-hexoxy-dihydroxyphosphanium is CCCCCCO[P+](O)(O)CC.
What is the InChIKey of ethyl-hexoxy-dihydroxyphosphanium?
The InChIKey is BJGGQJPNWOQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3P/c1-3-5-6-7-8-11-12(9,10)4-2/h9-10H,3-8H2,1-2H3/q+1.
What are the key properties of ethyl-hexoxy-dihydroxyphosphanium?
ethyl-hexoxy-dihydroxyphosphanium has a molecular weight of 195.22 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hexoxy-dihydroxyphosphanium is sourced from PubChem (CID 170563061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).