[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate

C11H21NO3 — CID 131667708

IUPAC[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
SMILESC=CCC(C)(CO)COC(=O)NC(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h5,9,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyOUDXTZMAYGENMF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.70
Rot. Bonds6

About [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate

[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate (PubChem CID 131667708) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
PubChem CID131667708
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate
SMILESC=CCC(C)(CO)COC(=O)NC(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h5,9,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyOUDXTZMAYGENMF-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
CID 91621260
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
CID 45110489
iodomethyl N-propan-2-ylcarbamate
CID 86715162
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
[(Z)-2-ethenyl-4-hydroxybut-2-enyl] N-propan-2-ylcarbamate
CID 58805113
[2-(2,2-dimethylpropanoyloxymethyl)-2-(hydroxyamino)pent-4-enyl] 2,2-dimethylpropanoate
CID 172708004
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate (CID 131667708) is [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate is C=CCC(C)(CO)COC(=O)NC(C)C.
What is the InChIKey of [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate?
The InChIKey is OUDXTZMAYGENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h5,9,13H,1,6-8H2,2-4H3,(H,12,14).
What are the key properties of [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate?
[2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 131667708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).