[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate

C15H27NO2 — CID 118053668

IUPAC[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)11-12-16-14(17)18-13-9-7-5-4-6-8-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17)/b5-4-
InChIKeyOBXVOPHMOLRDMO-PLNGDYQASA-N
MW253.39 g/mol
LogP4.04
Rot. Bonds3

About [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate

[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate (PubChem CID 118053668) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
PubChem CID118053668
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
SMILESCC(C)(C)CCNC(=O)OC1CC/C=C\CCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)11-12-16-14(17)18-13-9-7-5-4-6-8-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17)/b5-4-
InChIKeyOBXVOPHMOLRDMO-PLNGDYQASA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate (CID 118053668) is [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate is CC(C)(C)CCNC(=O)OC1CC/C=C\CCC1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate?
The InChIKey is OBXVOPHMOLRDMO-PLNGDYQASA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)11-12-16-14(17)18-13-9-7-5-4-6-8-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17)/b5-4-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate?
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate is sourced from PubChem (CID 118053668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).