tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate

C15H27NO3 — CID 123170006

IUPACtert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCOC1CC=CCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(17)16-11-7-8-12-18-13-9-5-4-6-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17)
InChIKeyXTSFDFVKVKUTRU-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.42
Rot. Bonds6

About tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate

tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate (PubChem CID 123170006) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
PubChem CID123170006
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCOC1CC=CCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(17)16-11-7-8-12-18-13-9-5-4-6-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17)
InChIKeyXTSFDFVKVKUTRU-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid isopropyl ester
CID 10570600
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
(R)-4-(Boc-amino)cyclohexene
CID 66696471
(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate
CID 91487620
tert-butyl N-[(4S)-4-hydroxyhept-6-enyl]carbamate
CID 24949506
(S)-Cyclohex-3-enyl-carbamic acid tert-butyl ester
CID 15935295
tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate
CID 53248526
[(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-yl] N-hexylcarbamate
CID 86301551
tert-butyl N-[(E)-11-[(2-methylpropan-2-yl)oxy]heptadec-8-enyl]carbamate
CID 89095592
tert-butyl N-[(1S,6S)-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 89640765
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-hexylcarbamate
CID 89795438
tert-butyl N-(4-ethoxycyclohex-3-en-1-yl)carbamate
CID 91113406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate (CID 123170006) is tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate is CC(C)(C)OC(=O)NCCCCOC1CC=CCC1.
What is the InChIKey of tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate?
The InChIKey is XTSFDFVKVKUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)19-14(17)16-11-7-8-12-18-13-9-5-4-6-10-13/h4-5,13H,6-12H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate?
tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate is sourced from PubChem (CID 123170006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).