2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid

C13H23NO5 — CID 66880587

IUPAC2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid
SMILESCCCCC(CC)CN(CC1COC(=O)O1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14(12(15)16)8-11-9-18-13(17)19-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDTEJENZFXIRVDN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.72
Rot. Bonds8

About 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid

2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid (PubChem CID 66880587) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid.

Molecular Properties

Compound Name2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid
PubChem CID66880587
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid
SMILESCCCCC(CC)CN(CC1COC(=O)O1)C(=O)O
InChIInChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14(12(15)16)8-11-9-18-13(17)19-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDTEJENZFXIRVDN-UHFFFAOYSA-N
XLogP2.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;oxiran-2-ylmethyl 2-ethylhexanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2-ethylhexanoate;iodide
CID 158205489
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
CID 21150840
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
carbon dioxide;4-(2-propylheptoxymethyl)-1,3-dioxolan-2-one;2-(2-propylheptoxymethyl)oxirane
CID 158637776
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 131738683

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid?
The IUPAC name of 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid (CID 66880587) is 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid.
What is the SMILES notation for 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid?
The canonical SMILES for 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid is CCCCC(CC)CN(CC1COC(=O)O1)C(=O)O.
What is the InChIKey of 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid?
The InChIKey is DTEJENZFXIRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-5-6-10(4-2)7-14(12(15)16)8-11-9-18-13(17)19-11/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid?
2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid has a molecular weight of 273.33 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-[(2-oxo-1,3-dioxolan-4-yl)methyl]carbamic acid is sourced from PubChem (CID 66880587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).