methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate

C13H23NO3 — CID 123140147

IUPACmethyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate
SMILESC=C(C)C(NC(=O)OC)C1CC(C)OC(C)C1
InChIInChI=1S/C13H23NO3/c1-8(2)12(14-13(15)16-5)11-6-9(3)17-10(4)7-11/h9-12H,1,6-7H2,2-5H3,(H,14,15)
InChIKeyRMOVYNGVRINJOJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds3

About methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate

methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate (PubChem CID 123140147) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate
PubChem CID123140147
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate
SMILESC=C(C)C(NC(=O)OC)C1CC(C)OC(C)C1
InChIInChI=1S/C13H23NO3/c1-8(2)12(14-13(15)16-5)11-6-9(3)17-10(4)7-11/h9-12H,1,6-7H2,2-5H3,(H,14,15)
InChIKeyRMOVYNGVRINJOJ-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxan-4-yl N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]carbamate
CID 88995069
tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-methylideneoxan-3-yl]carbamate
CID 90246524
methyl N-[(2-methoxy-5-methylidenecyclohexyl)methyl]carbamate
CID 90869719
oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate
CID 91009379
oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 91201551
oxan-4-yl N-(4-methyl-3-methylidenepentan-2-yl)carbamate
CID 91377585
4-[(3S)-3-methyloct-1-en-2-yl]-1,3-oxazinan-2-one
CID 118600761
tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate
CID 123952118
methyl N-[1-(2,6-dimethyloxan-4-yl)ethyl]carbamate
CID 126599484
ethane;methyl N-[2-methyl-1-(oxan-4-yl)prop-2-enyl]carbamate
CID 144904638
methyl N-[1-(2-methyloxan-4-yl)ethyl]carbamate
CID 144904735
[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate
CID 145483962

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate?
The IUPAC name of methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate (CID 123140147) is methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate?
The canonical SMILES for methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate is C=C(C)C(NC(=O)OC)C1CC(C)OC(C)C1.
What is the InChIKey of methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate?
The InChIKey is RMOVYNGVRINJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(2)12(14-13(15)16-5)11-6-9(3)17-10(4)7-11/h9-12H,1,6-7H2,2-5H3,(H,14,15).
What are the key properties of methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate?
methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate is sourced from PubChem (CID 123140147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).