sodium;dodecyl 2-chloroacetate;hydride

C14H28ClNaO2 — CID 175130022

IUPACsodium;dodecyl 2-chloroacetate;hydride
SMILESCCCCCCCCCCCCOC(=O)CCl.[H-].[Na+]
InChIInChI=1S/C14H27ClO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;/h2-13H2,1H3;;/q;+1;-1
InChIKeyJQEBGZIKBBGERN-UHFFFAOYSA-N
MW286.82 g/mol
LogP1.81
Rot. Bonds12

About sodium;dodecyl 2-chloroacetate;hydride

sodium;dodecyl 2-chloroacetate;hydride (PubChem CID 175130022) has the molecular formula C14H28ClNaO2 and a molecular weight of 286.82 g/mol. Its IUPAC name is sodium;dodecyl 2-chloroacetate;hydride.

Molecular Properties

Compound Namesodium;dodecyl 2-chloroacetate;hydride
PubChem CID175130022
Molecular FormulaC14H28ClNaO2
Molecular Weight286.82 g/mol
Exact Mass286.17
IUPAC Namesodium;dodecyl 2-chloroacetate;hydride
SMILESCCCCCCCCCCCCOC(=O)CCl.[H-].[Na+]
InChIInChI=1S/C14H27ClO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;/h2-13H2,1H3;;/q;+1;-1
InChIKeyJQEBGZIKBBGERN-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352
lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174968836
hexyl 3-chloropropanoate
CID 522094
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
4-O-(8-chlorooctyl) 1-O-hexyl butanedioate
CID 91702113
calcium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174967752
4-O-(10-chlorodecyl) 1-O-undecyl butanedioate
CID 91702151
calcium;3-hexoxy-3-oxopropanoic acid;hydride
CID 174967959
5-O-(8-chlorooctyl) 1-O-octyl pentanedioate
CID 91709216

Frequently Asked Questions

What is the IUPAC name of sodium;dodecyl 2-chloroacetate;hydride?
The IUPAC name of sodium;dodecyl 2-chloroacetate;hydride (CID 175130022) is sodium;dodecyl 2-chloroacetate;hydride.
What is the SMILES notation for sodium;dodecyl 2-chloroacetate;hydride?
The canonical SMILES for sodium;dodecyl 2-chloroacetate;hydride is CCCCCCCCCCCCOC(=O)CCl.[H-].[Na+].
What is the InChIKey of sodium;dodecyl 2-chloroacetate;hydride?
The InChIKey is JQEBGZIKBBGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;;/h2-13H2,1H3;;/q;+1;-1.
What are the key properties of sodium;dodecyl 2-chloroacetate;hydride?
sodium;dodecyl 2-chloroacetate;hydride has a molecular weight of 286.82 g/mol, XLogP of 1.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecyl 2-chloroacetate;hydride is sourced from PubChem (CID 175130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).