[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate

C15H27NO3 — CID 122495968

IUPAC[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1/C=C\CCC(OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-16-14(17)18-12-8-6-7-9-13(11-10-12)19-15(2,3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H,16,17)/b8-6-
InChIKeyCESWGZDOCBGSFC-VURMDHGXSA-N
MW269.38 g/mol
LogP3.41
Rot. Bonds3

About [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate

[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate (PubChem CID 122495968) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
PubChem CID122495968
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1/C=C\CCC(OC(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-16-14(17)18-12-8-6-7-9-13(11-10-12)19-15(2,3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H,16,17)/b8-6-
InChIKeyCESWGZDOCBGSFC-VURMDHGXSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl N-ethylcarbamate
CID 54482890
[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460768
[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458934
cyclohexyl N-ethylcarbamate
CID 22978796
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
[(2E,6S)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] N-propan-2-ylcarbamate
CID 146231501
[(2E)-6-(2-methylpropanoyl)cyclooct-2-en-1-yl] N-methylcarbamate
CID 155426557
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate
CID 90184401
[(4E)-cyclooct-4-en-1-yl] N-(3,3-dimethylbutyl)carbamate
CID 118053668
[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
CID 174338322
azetidin-3-yl N-ethylcarbamate
CID 79338252

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate?
The IUPAC name of [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate (CID 122495968) is [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate.
What is the SMILES notation for [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate?
The canonical SMILES for [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate is CCNC(=O)OC1/C=C\CCC(OC(C)(C)C)CC1.
What is the InChIKey of [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate?
The InChIKey is CESWGZDOCBGSFC-VURMDHGXSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-16-14(17)18-12-8-6-7-9-13(11-10-12)19-15(2,3)4/h6,8,12-13H,5,7,9-11H2,1-4H3,(H,16,17)/b8-6-.
What are the key properties of [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate?
[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate has a molecular weight of 269.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate is sourced from PubChem (CID 122495968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).