potassium;hydride;pentyl formate

C6H13KO2 — CID 173073840

IUPACpotassium;hydride;pentyl formate
SMILESCCCCCOC=O.[H-].[K+]
InChIInChI=1S/C6H12O2.K.H/c1-2-3-4-5-8-6-7;;/h6H,2-5H2,1H3;;/q;+1;-1
InChIKeyDGVFCKVLYDTAII-UHFFFAOYSA-N
MW156.27 g/mol
LogP-1.53
Rot. Bonds5

About potassium;hydride;pentyl formate

potassium;hydride;pentyl formate (PubChem CID 173073840) has the molecular formula C6H13KO2 and a molecular weight of 156.27 g/mol. Its IUPAC name is potassium;hydride;pentyl formate.

Molecular Properties

Compound Namepotassium;hydride;pentyl formate
PubChem CID173073840
Molecular FormulaC6H13KO2
Molecular Weight156.27 g/mol
Exact Mass156.06
IUPAC Namepotassium;hydride;pentyl formate
SMILESCCCCCOC=O.[H-].[K+]
InChIInChI=1S/C6H12O2.K.H/c1-2-3-4-5-8-6-7;;/h6H,2-5H2,1H3;;/q;+1;-1
InChIKeyDGVFCKVLYDTAII-UHFFFAOYSA-N
XLogP-1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(butylamino)propyl formate
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4-butylsulfonylbutyl formate
CID 56978488
dodec-7-ynyl formate
CID 91552785
benzene;butyl formate;formic acid
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13-[butyl(ethyl)amino]tridecyl formate
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potassium;hydride;N-octoxyformamide
CID 175537133

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;pentyl formate?
The IUPAC name of potassium;hydride;pentyl formate (CID 173073840) is potassium;hydride;pentyl formate.
What is the SMILES notation for potassium;hydride;pentyl formate?
The canonical SMILES for potassium;hydride;pentyl formate is CCCCCOC=O.[H-].[K+].
What is the InChIKey of potassium;hydride;pentyl formate?
The InChIKey is DGVFCKVLYDTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.K.H/c1-2-3-4-5-8-6-7;;/h6H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;pentyl formate?
potassium;hydride;pentyl formate has a molecular weight of 156.27 g/mol, XLogP of -1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;pentyl formate is sourced from PubChem (CID 173073840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).