9-carbamoyloxynonyl carbamate

C11H22N2O4 — CID 87883969

IUPAC9-carbamoyloxynonyl carbamate
SMILESNC(=O)OCCCCCCCCCOC(N)=O
InChIInChI=1S/C11H22N2O4/c12-10(14)16-8-6-4-2-1-3-5-7-9-17-11(13)15/h1-9H2,(H2,12,14)(H2,13,15)
InChIKeyBHEDRMHDQNNWMZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds10

About 9-carbamoyloxynonyl carbamate

9-carbamoyloxynonyl carbamate (PubChem CID 87883969) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-carbamoyloxynonyl carbamate.

Molecular Properties

Compound Name9-carbamoyloxynonyl carbamate
PubChem CID87883969
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name9-carbamoyloxynonyl carbamate
SMILESNC(=O)OCCCCCCCCCOC(N)=O
InChIInChI=1S/C11H22N2O4/c12-10(14)16-8-6-4-2-1-3-5-7-9-17-11(13)15/h1-9H2,(H2,12,14)(H2,13,15)
InChIKeyBHEDRMHDQNNWMZ-UHFFFAOYSA-N
XLogP1.91
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-aminononyl carbamate
CID 87884060
octacosyl carbamate
CID 160925840
6-bromohexyl carbamate
CID 174934401
ethane;pentyl carbamate
CID 142339635
16-methylheptadecyl carbamate
CID 175072884
6-(methylamino)hexyl carbamate
CID 87971440
14-methylpentadecyl carbamate
CID 175375850
methyl 18-carbamoyloxyoctadecanoate
CID 126739375
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
5-(propylamino)pentyl carbamate
CID 175255674

Frequently Asked Questions

What is the IUPAC name of 9-carbamoyloxynonyl carbamate?
The IUPAC name of 9-carbamoyloxynonyl carbamate (CID 87883969) is 9-carbamoyloxynonyl carbamate.
What is the SMILES notation for 9-carbamoyloxynonyl carbamate?
The canonical SMILES for 9-carbamoyloxynonyl carbamate is NC(=O)OCCCCCCCCCOC(N)=O.
What is the InChIKey of 9-carbamoyloxynonyl carbamate?
The InChIKey is BHEDRMHDQNNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c12-10(14)16-8-6-4-2-1-3-5-7-9-17-11(13)15/h1-9H2,(H2,12,14)(H2,13,15).
What are the key properties of 9-carbamoyloxynonyl carbamate?
9-carbamoyloxynonyl carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbamoyloxynonyl carbamate is sourced from PubChem (CID 87883969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).