tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate

C15H25NO3 — CID 163587025

IUPACtert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
SMILESC=CC(=C)OC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-6-11(2)18-13-9-7-12(8-10-13)16-14(17)19-15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3,(H,16,17)
InChIKeyGMIPDJLPKLPUFV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds4

About tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate

tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate (PubChem CID 163587025) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
PubChem CID163587025
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
SMILESC=CC(=C)OC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-6-11(2)18-13-9-7-12(8-10-13)16-14(17)19-15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3,(H,16,17)
InChIKeyGMIPDJLPKLPUFV-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
CID 138714983
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
acetylene;tert-butyl N-cyclopropylcarbamate;ethyl formate
CID 143394124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate (CID 163587025) is tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate is C=CC(=C)OC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate?
The InChIKey is GMIPDJLPKLPUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-11(2)18-13-9-7-12(8-10-13)16-14(17)19-15(3,4)5/h6,12-13H,1-2,7-10H2,3-5H3,(H,16,17).
What are the key properties of tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate?
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate has a molecular weight of 267.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate is sourced from PubChem (CID 163587025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).