methyl N-hexoxycarbonylcarbamate

C9H17NO4 — CID 153299552

IUPACmethyl N-hexoxycarbonylcarbamate
SMILESCCCCCCOC(=O)NC(=O)OC
InChIInChI=1S/C9H17NO4/c1-3-4-5-6-7-14-9(12)10-8(11)13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyCRYUDLZOAGVJJS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds5

About methyl N-hexoxycarbonylcarbamate

methyl N-hexoxycarbonylcarbamate (PubChem CID 153299552) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl N-hexoxycarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-hexoxycarbonylcarbamate
PubChem CID153299552
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl N-hexoxycarbonylcarbamate
SMILESCCCCCCOC(=O)NC(=O)OC
InChIInChI=1S/C9H17NO4/c1-3-4-5-6-7-14-9(12)10-8(11)13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyCRYUDLZOAGVJJS-UHFFFAOYSA-N
XLogP2.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecoxycarbonylcarbamic acid
CID 19778443
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
octadecyl N-propylcarbamate
CID 175015942
azane;methyl tetradecyl carbonate
CID 118914581
butoxycarbonylcarbamic acid
CID 22136826

Frequently Asked Questions

What is the IUPAC name of methyl N-hexoxycarbonylcarbamate?
The IUPAC name of methyl N-hexoxycarbonylcarbamate (CID 153299552) is methyl N-hexoxycarbonylcarbamate.
What is the SMILES notation for methyl N-hexoxycarbonylcarbamate?
The canonical SMILES for methyl N-hexoxycarbonylcarbamate is CCCCCCOC(=O)NC(=O)OC.
What is the InChIKey of methyl N-hexoxycarbonylcarbamate?
The InChIKey is CRYUDLZOAGVJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-5-6-7-14-9(12)10-8(11)13-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of methyl N-hexoxycarbonylcarbamate?
methyl N-hexoxycarbonylcarbamate has a molecular weight of 203.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hexoxycarbonylcarbamate is sourced from PubChem (CID 153299552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).