2-methylhexan-2-yl N-(2-oxoethyl)carbamate

C10H19NO3 — CID 138646437

IUPAC2-methylhexan-2-yl N-(2-oxoethyl)carbamate
SMILESCCCCC(C)(C)OC(=O)NCC=O
InChIInChI=1S/C10H19NO3/c1-4-5-6-10(2,3)14-9(13)11-7-8-12/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyMCVQHXLCOKQLAR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds6

About 2-methylhexan-2-yl N-(2-oxoethyl)carbamate

2-methylhexan-2-yl N-(2-oxoethyl)carbamate (PubChem CID 138646437) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methylhexan-2-yl N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Name2-methylhexan-2-yl N-(2-oxoethyl)carbamate
PubChem CID138646437
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methylhexan-2-yl N-(2-oxoethyl)carbamate
SMILESCCCCC(C)(C)OC(=O)NCC=O
InChIInChI=1S/C10H19NO3/c1-4-5-6-10(2,3)14-9(13)11-7-8-12/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyMCVQHXLCOKQLAR-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylhexan-2-yl N-aminocarbamate
CID 163750703
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020
2-(2-methylheptan-2-yloxycarbonylamino)ethylphosphonic acid
CID 58871412
2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
2-methyloctan-2-yl 2-methylbut-2-enoate
CID 91346292
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124
ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
5-(2-methylhexan-2-yloxy)-5-oxopentanoic acid
CID 174159851
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yl N-(2-oxoethyl)carbamate?
The IUPAC name of 2-methylhexan-2-yl N-(2-oxoethyl)carbamate (CID 138646437) is 2-methylhexan-2-yl N-(2-oxoethyl)carbamate.
What is the SMILES notation for 2-methylhexan-2-yl N-(2-oxoethyl)carbamate?
The canonical SMILES for 2-methylhexan-2-yl N-(2-oxoethyl)carbamate is CCCCC(C)(C)OC(=O)NCC=O.
What is the InChIKey of 2-methylhexan-2-yl N-(2-oxoethyl)carbamate?
The InChIKey is MCVQHXLCOKQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-6-10(2,3)14-9(13)11-7-8-12/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-methylhexan-2-yl N-(2-oxoethyl)carbamate?
2-methylhexan-2-yl N-(2-oxoethyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yl N-(2-oxoethyl)carbamate is sourced from PubChem (CID 138646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).