6-carbamoyloxyoctyl carbamate

C10H20N2O4 — CID 54036926

IUPAC6-carbamoyloxyoctyl carbamate
SMILESCCC(CCCCCOC(N)=O)OC(N)=O
InChIInChI=1S/C10H20N2O4/c1-2-8(16-10(12)14)6-4-3-5-7-15-9(11)13/h8H,2-7H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyLJPQYJKWQPYTAR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.52
Rot. Bonds8

About 6-carbamoyloxyoctyl carbamate

6-carbamoyloxyoctyl carbamate (PubChem CID 54036926) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-carbamoyloxyoctyl carbamate.

Molecular Properties

Compound Name6-carbamoyloxyoctyl carbamate
PubChem CID54036926
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name6-carbamoyloxyoctyl carbamate
SMILESCCC(CCCCCOC(N)=O)OC(N)=O
InChIInChI=1S/C10H20N2O4/c1-2-8(16-10(12)14)6-4-3-5-7-15-9(11)13/h8H,2-7H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyLJPQYJKWQPYTAR-UHFFFAOYSA-N
XLogP1.52
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.52
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

12-carboxyoxydodecan-3-yl hydrogen carbonate
CID 87854832
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
6-(2-sulfanylacetyl)oxyoctyl 2-sulfanylacetate
CID 139697671
1-O-decyl 3-O-octan-3-yl 2-methylpropanedioate
CID 170431173
9-carbamoyloxynonyl carbamate
CID 87883969
octacosyl carbamate
CID 160925840
4-O-heptan-3-yl 1-O-icosyl butanedioate
CID 91710535
1-butoxybutan-2-yl carbamate
CID 153396389
nonan-3-yl 2-methylpropanoate
CID 141408471
6-O-heptan-3-yl 1-O-pentadecyl hexanedioate
CID 91714184
[(3S)-nonan-3-yl] acetate
CID 76967958

Frequently Asked Questions

What is the IUPAC name of 6-carbamoyloxyoctyl carbamate?
The IUPAC name of 6-carbamoyloxyoctyl carbamate (CID 54036926) is 6-carbamoyloxyoctyl carbamate.
What is the SMILES notation for 6-carbamoyloxyoctyl carbamate?
The canonical SMILES for 6-carbamoyloxyoctyl carbamate is CCC(CCCCCOC(N)=O)OC(N)=O.
What is the InChIKey of 6-carbamoyloxyoctyl carbamate?
The InChIKey is LJPQYJKWQPYTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-8(16-10(12)14)6-4-3-5-7-15-9(11)13/h8H,2-7H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 6-carbamoyloxyoctyl carbamate?
6-carbamoyloxyoctyl carbamate has a molecular weight of 232.28 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyloxyoctyl carbamate is sourced from PubChem (CID 54036926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).