CID 158729171

C8H16NaO3P+ — CID 158729171

IUPAC—
SMILESCCC(=O)CCCCCO[PH+]=O.[Na]
InChIInChI=1S/C8H16O3P.Na/c1-2-8(9)6-4-3-5-7-11-12-10;/h12H,2-7H2,1H3;/q+1;
InChIKeyBAEDYVGMTAXQOZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP2.10
Rot. Bonds8

About CID 158729171

CID 158729171 (PubChem CID 158729171) has the molecular formula C8H16NaO3P+ and a molecular weight of 214.18 g/mol.

Molecular Properties

Compound NameCID 158729171
PubChem CID158729171
Molecular FormulaC8H16NaO3P+
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name—
SMILESCCC(=O)CCCCCO[PH+]=O.[Na]
InChIInChI=1S/C8H16O3P.Na/c1-2-8(9)6-4-3-5-7-11-12-10;/h12H,2-7H2,1H3;/q+1;
InChIKeyBAEDYVGMTAXQOZ-UHFFFAOYSA-N
XLogP2.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
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

methane;undecane-3,9-dione
CID 158816586
cobalt(2+);heptoxy(oxo)phosphanium
CID 157228735
1-hydroxydodecane-2,10-dione
CID 158814981
7-trimethylsilyloxyheptan-3-one
CID 18622779
tetracosane-3,13-dione
CID 143607999
9-oxoundecanoic acid
CID 5282986
decan-3-one;hydrochloride
CID 22446547
pentadecane-2,13-dione
CID 58143587
heptadecane-3,7,11,15-tetrone
CID 160942813
22-hydroxytricos-22-en-3-one
CID 170097377
hexadecane-3,6-dione
CID 154449726
14-aminotetradecan-3-one
CID 178176766

Frequently Asked Questions

What is the IUPAC name of CID 158729171?
The IUPAC name of CID 158729171 (CID 158729171) is not available.
What is the SMILES notation for CID 158729171?
The canonical SMILES for CID 158729171 is CCC(=O)CCCCCO[PH+]=O.[Na].
What is the InChIKey of CID 158729171?
The InChIKey is BAEDYVGMTAXQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3P.Na/c1-2-8(9)6-4-3-5-7-11-12-10;/h12H,2-7H2,1H3;/q+1;.
What are the key properties of CID 158729171?
CID 158729171 has a molecular weight of 214.18 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158729171 is sourced from PubChem (CID 158729171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).