[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate

C11H21NO3 — CID 91621260

IUPAC[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(C)(CO)CCC
InChIInChI=1S/C11H21NO3/c1-4-6-11(3,8-13)9-15-10(14)12-7-5-2/h5,13H,2,4,6-9H2,1,3H3,(H,12,14)
InChIKeySTIPYWNXUPFYDQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.70
Rot. Bonds7

About [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate

[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate (PubChem CID 91621260) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
PubChem CID91621260
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCC(C)(CO)CCC
InChIInChI=1S/C11H21NO3/c1-4-6-11(3,8-13)9-15-10(14)12-7-5-2/h5,13H,2,4,6-9H2,1,3H3,(H,12,14)
InChIKeySTIPYWNXUPFYDQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-tribromoethyl N-prop-2-enylcarbamate
CID 173308165
[2-[[(E)-but-2-enyl]carbamoyloxymethyl]-2-methylpentyl]carbamic acid
CID 6445222
heptyl N-prop-2-enylcarbamate
CID 123482137
carbamic acid;[2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylsulfanylcarbamate
CID 21149682
[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
CID 131667708
[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
CID 21128470
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
(2-methyl-2-propylpentyl) acetate
CID 89417633
[3-(butylamino)-2-(butylaminomethyl)-2-methylpropyl] N-ethylcarbamate
CID 87800600

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate?
The IUPAC name of [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate (CID 91621260) is [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate.
What is the SMILES notation for [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate?
The canonical SMILES for [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate is C=CCNC(=O)OCC(C)(CO)CCC.
What is the InChIKey of [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate?
The InChIKey is STIPYWNXUPFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-11(3,8-13)9-15-10(14)12-7-5-2/h5,13H,2,4,6-9H2,1,3H3,(H,12,14).
What are the key properties of [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate?
[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate is sourced from PubChem (CID 91621260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).