tert-butyl N-(6-oxonon-7-ynyl)carbamate

C14H23NO3 — CID 71375911

IUPACtert-butyl N-(6-oxonon-7-ynyl)carbamate
SMILESCC#CC(=O)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-9-12(16)10-7-6-8-11-15-13(17)18-14(2,3)4/h6-8,10-11H2,1-4H3,(H,15,17)
InChIKeyXPWJVENMRGODKW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.66
Rot. Bonds6

About tert-butyl N-(6-oxonon-7-ynyl)carbamate

tert-butyl N-(6-oxonon-7-ynyl)carbamate (PubChem CID 71375911) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl N-(6-oxonon-7-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-oxonon-7-ynyl)carbamate
PubChem CID71375911
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl N-(6-oxonon-7-ynyl)carbamate
SMILESCC#CC(=O)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-9-12(16)10-7-6-8-11-15-13(17)18-14(2,3)4/h6-8,10-11H2,1-4H3,(H,15,17)
InChIKeyXPWJVENMRGODKW-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 178120004
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CID 15570048
bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl] butanedioate
CID 175487122
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-nonylcarbamate;ethane
CID 168941348
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-oxonon-7-ynyl)carbamate?
The IUPAC name of tert-butyl N-(6-oxonon-7-ynyl)carbamate (CID 71375911) is tert-butyl N-(6-oxonon-7-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-oxonon-7-ynyl)carbamate?
The canonical SMILES for tert-butyl N-(6-oxonon-7-ynyl)carbamate is CC#CC(=O)CCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-oxonon-7-ynyl)carbamate?
The InChIKey is XPWJVENMRGODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-9-12(16)10-7-6-8-11-15-13(17)18-14(2,3)4/h6-8,10-11H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-(6-oxonon-7-ynyl)carbamate?
tert-butyl N-(6-oxonon-7-ynyl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-oxonon-7-ynyl)carbamate is sourced from PubChem (CID 71375911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).