methyl 5-(methylamino)non-8-en-2-yl carbonate

C12H23NO3 — CID 144632305

IUPACmethyl 5-(methylamino)non-8-en-2-yl carbonate
SMILESC=CCCC(CCC(C)OC(=O)OC)NC
InChIInChI=1S/C12H23NO3/c1-5-6-7-11(13-3)9-8-10(2)16-12(14)15-4/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyFVLXPZYVRNWWTL-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.49
Rot. Bonds8

About methyl 5-(methylamino)non-8-en-2-yl carbonate

methyl 5-(methylamino)non-8-en-2-yl carbonate (PubChem CID 144632305) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 5-(methylamino)non-8-en-2-yl carbonate.

Molecular Properties

Compound Namemethyl 5-(methylamino)non-8-en-2-yl carbonate
PubChem CID144632305
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 5-(methylamino)non-8-en-2-yl carbonate
SMILESC=CCCC(CCC(C)OC(=O)OC)NC
InChIInChI=1S/C12H23NO3/c1-5-6-7-11(13-3)9-8-10(2)16-12(14)15-4/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyFVLXPZYVRNWWTL-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hex-5-en-2-yl 2-iodoacetate
CID 11065424
1-ethylsulfanyl-N-methylhex-5-en-2-amine
CID 65127590
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
4-methoxycarbonyloxybutan-2-yl methyl carbonate
CID 102005432
hex-5-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155760043
methyl 3-methylhept-6-enoate
CID 19865945
1-(2,2-difluoroethoxy)-N-methylhept-6-en-3-amine
CID 103149283
3-oxo-3-undec-10-en-2-yloxypropanoic acid
CID 54309534
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
methyl (2S)-2-(methylcarbamoylamino)hex-5-enoate
CID 134251298
3-methoxyhept-6-en-2-one
CID 45085639
methyl [(3S)-6-methylhept-1-en-3-yl] carbonate
CID 102073386

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)non-8-en-2-yl carbonate?
The IUPAC name of methyl 5-(methylamino)non-8-en-2-yl carbonate (CID 144632305) is methyl 5-(methylamino)non-8-en-2-yl carbonate.
What is the SMILES notation for methyl 5-(methylamino)non-8-en-2-yl carbonate?
The canonical SMILES for methyl 5-(methylamino)non-8-en-2-yl carbonate is C=CCCC(CCC(C)OC(=O)OC)NC.
What is the InChIKey of methyl 5-(methylamino)non-8-en-2-yl carbonate?
The InChIKey is FVLXPZYVRNWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-7-11(13-3)9-8-10(2)16-12(14)15-4/h5,10-11,13H,1,6-9H2,2-4H3.
What are the key properties of methyl 5-(methylamino)non-8-en-2-yl carbonate?
methyl 5-(methylamino)non-8-en-2-yl carbonate has a molecular weight of 229.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)non-8-en-2-yl carbonate is sourced from PubChem (CID 144632305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).