dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate

C21H24K2O7 — CID 173388833

IUPACdipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate
SMILESCCCc1cc(O)cc(C=O)c1.CCCc1cc(O)cc(C=O)c1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/2C10H12O2.CH2O3.2K/c2*1-2-3-8-4-9(7-11)6-10(12)5-8;2-1(3)4;;/h2*4-7,12H,2-3H2,1H3;(H2,2,3,4);;/q;;;2*+1/p-2
InChIKeyGYWQDVVHEZZEOF-UHFFFAOYSA-L
MW466.61 g/mol
LogP-4.12
Rot. Bonds6

About dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate

dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate (PubChem CID 173388833) has the molecular formula C21H24K2O7 and a molecular weight of 466.61 g/mol. Its IUPAC name is dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate.

Molecular Properties

Compound Namedipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate
PubChem CID173388833
Molecular FormulaC21H24K2O7
Molecular Weight466.61 g/mol
Exact Mass466.08
IUPAC Namedipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate
SMILESCCCc1cc(O)cc(C=O)c1.CCCc1cc(O)cc(C=O)c1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/2C10H12O2.CH2O3.2K/c2*1-2-3-8-4-9(7-11)6-10(12)5-8;2-1(3)4;;/h2*4-7,12H,2-3H2,1H3;(H2,2,3,4);;/q;;;2*+1/p-2
InChIKeyGYWQDVVHEZZEOF-UHFFFAOYSA-L
XLogP-4.12
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 5-4.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-propylbenzene-1,3-diol
CID 3083600
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
3-butyl-5-propylphenol
CID 69337384
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
CID 123674719
3-[2-(3,5-dipropylphenyl)ethyl]benzaldehyde;[3-[2-(3,5-dipropylphenyl)ethyl]phenyl]methanol
CID 157231949
3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 144775988
ethyl 3-formyl-5-(3-oxopropyl)benzoate
CID 134642858
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
3,5-dibutylphenol
CID 15936149
CID 175718629
CID 175718629
(3-formyl-5-hydroxyphenyl)oxidanium
CID 163604582

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate?
The IUPAC name of dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate (CID 173388833) is dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate.
What is the SMILES notation for dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate?
The canonical SMILES for dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate is CCCc1cc(O)cc(C=O)c1.CCCc1cc(O)cc(C=O)c1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate?
The InChIKey is GYWQDVVHEZZEOF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O2.CH2O3.2K/c2*1-2-3-8-4-9(7-11)6-10(12)5-8;2-1(3)4;;/h2*4-7,12H,2-3H2,1H3;(H2,2,3,4);;/q;;;2*+1/p-2.
What are the key properties of dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate?
dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate has a molecular weight of 466.61 g/mol, XLogP of -4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate is sourced from PubChem (CID 173388833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).