sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride

C17H36NNaO2 — CID 175143259

IUPACsodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
SMILESCCCCC(CC)CNC(=O)OCC(CC)CCCC.[H-].[Na+]
InChIInChI=1S/C17H35NO2.Na.H/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;;/h15-16H,5-14H2,1-4H3,(H,18,19);;/q;+1;-1
InChIKeyOKAHSSNHZVXCOV-UHFFFAOYSA-N
MW309.47 g/mol
LogP2.26
Rot. Bonds12

About sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride

sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride (PubChem CID 175143259) has the molecular formula C17H36NNaO2 and a molecular weight of 309.47 g/mol. Its IUPAC name is sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride.

Molecular Properties

Compound Namesodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
PubChem CID175143259
Molecular FormulaC17H36NNaO2
Molecular Weight309.47 g/mol
Exact Mass309.26
IUPAC Namesodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
SMILESCCCCC(CC)CNC(=O)OCC(CC)CCCC.[H-].[Na+]
InChIInChI=1S/C17H35NO2.Na.H/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;;/h15-16H,5-14H2,1-4H3,(H,18,19);;/q;+1;-1
InChIKeyOKAHSSNHZVXCOV-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
2-ethylhexyl N-(4-hydroxybutyl)carbamate
CID 54017196
2-ethylhexyl N-ethenylcarbamate
CID 21260803
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
2-ethylhexyl N-[3,5-bis(methoxycarbonylamino)-1,3,5-triazinan-1-yl]carbamate
CID 67788052
[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 163144490
2-ethylhexyl 2-aminohexanoate
CID 61303871
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride?
The IUPAC name of sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride (CID 175143259) is sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride.
What is the SMILES notation for sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride?
The canonical SMILES for sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride is CCCCC(CC)CNC(=O)OCC(CC)CCCC.[H-].[Na+].
What is the InChIKey of sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride?
The InChIKey is OKAHSSNHZVXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.Na.H/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;;/h15-16H,5-14H2,1-4H3,(H,18,19);;/q;+1;-1.
What are the key properties of sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride?
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride has a molecular weight of 309.47 g/mol, XLogP of 2.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride is sourced from PubChem (CID 175143259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).