sodium;hydride;(4-pentylphenyl) formate

C12H17NaO2 — CID 174654001

IUPACsodium;hydride;(4-pentylphenyl) formate
SMILESCCCCCc1ccc(OC=O)cc1.[H-].[Na+]
InChIInChI=1S/C12H16O2.Na.H/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13;;/h6-10H,2-5H2,1H3;;/q;+1;-1
InChIKeyNQHBBBREQDFIPR-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.07
Rot. Bonds6

About sodium;hydride;(4-pentylphenyl) formate

sodium;hydride;(4-pentylphenyl) formate (PubChem CID 174654001) has the molecular formula C12H17NaO2 and a molecular weight of 216.26 g/mol. Its IUPAC name is sodium;hydride;(4-pentylphenyl) formate.

Molecular Properties

Compound Namesodium;hydride;(4-pentylphenyl) formate
PubChem CID174654001
Molecular FormulaC12H17NaO2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Namesodium;hydride;(4-pentylphenyl) formate
SMILESCCCCCc1ccc(OC=O)cc1.[H-].[Na+]
InChIInChI=1S/C12H16O2.Na.H/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13;;/h6-10H,2-5H2,1H3;;/q;+1;-1
InChIKeyNQHBBBREQDFIPR-UHFFFAOYSA-N
XLogP0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.07
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

1-dodecyl-4-ethenoxybenzene
CID 174857999
(4-decoxyphenyl) formate
CID 54244817
1-butyl-4-nonylbenzene
CID 59545302
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
[4-formyloxy-3-[(E)-2-(4-pentylphenyl)prop-1-enyl]phenyl] formate
CID 167263653
4-(4-butylphenoxy)benzaldehyde
CID 10824839
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
bis(4-pentylphenyl) sulfate
CID 69378529
(4-octylphenoxy)-oxophosphanium
CID 123939155
sodium;hydride;(4-nonylphenyl) propane-1-sulfonate
CID 175247982

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-pentylphenyl) formate?
The IUPAC name of sodium;hydride;(4-pentylphenyl) formate (CID 174654001) is sodium;hydride;(4-pentylphenyl) formate.
What is the SMILES notation for sodium;hydride;(4-pentylphenyl) formate?
The canonical SMILES for sodium;hydride;(4-pentylphenyl) formate is CCCCCc1ccc(OC=O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-pentylphenyl) formate?
The InChIKey is NQHBBBREQDFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.Na.H/c1-2-3-4-5-11-6-8-12(9-7-11)14-10-13;;/h6-10H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;(4-pentylphenyl) formate?
sodium;hydride;(4-pentylphenyl) formate has a molecular weight of 216.26 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-pentylphenyl) formate is sourced from PubChem (CID 174654001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).