10-carbamoyloxydodeca-1,11-dien-3-yl carbamate

C14H24N2O4 — CID 87621929

IUPAC10-carbamoyloxydodeca-1,11-dien-3-yl carbamate
SMILESC=CC(CCCCCCC(C=C)OC(N)=O)OC(N)=O
InChIInChI=1S/C14H24N2O4/c1-3-11(19-13(15)17)9-7-5-6-8-10-12(4-2)20-14(16)18/h3-4,11-12H,1-2,5-10H2,(H2,15,17)(H2,16,18)
InChIKeyYGPATMIKHZHBRK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds11

About 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate

10-carbamoyloxydodeca-1,11-dien-3-yl carbamate (PubChem CID 87621929) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate.

Molecular Properties

Compound Name10-carbamoyloxydodeca-1,11-dien-3-yl carbamate
PubChem CID87621929
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name10-carbamoyloxydodeca-1,11-dien-3-yl carbamate
SMILESC=CC(CCCCCCC(C=C)OC(N)=O)OC(N)=O
InChIInChI=1S/C14H24N2O4/c1-3-11(19-13(15)17)9-7-5-6-8-10-12(4-2)20-14(16)18/h3-4,11-12H,1-2,5-10H2,(H2,15,17)(H2,16,18)
InChIKeyYGPATMIKHZHBRK-UHFFFAOYSA-N
XLogP2.63
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate?
The IUPAC name of 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate (CID 87621929) is 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate.
What is the SMILES notation for 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate?
The canonical SMILES for 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate is C=CC(CCCCCCC(C=C)OC(N)=O)OC(N)=O.
What is the InChIKey of 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate?
The InChIKey is YGPATMIKHZHBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-11(19-13(15)17)9-7-5-6-8-10-12(4-2)20-14(16)18/h3-4,11-12H,1-2,5-10H2,(H2,15,17)(H2,16,18).
What are the key properties of 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate?
10-carbamoyloxydodeca-1,11-dien-3-yl carbamate has a molecular weight of 284.36 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbamoyloxydodeca-1,11-dien-3-yl carbamate is sourced from PubChem (CID 87621929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).