tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate

C14H25NO3 — CID 101433047

IUPACtert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
SMILESCC(C)=CCCC(C)C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)8-7-9-11(3)12(16)15-13(17)18-14(4,5)6/h8,11H,7,9H2,1-6H3,(H,15,16,17)
InChIKeyDFWJEEYYTQGOLC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate

tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate (PubChem CID 101433047) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
PubChem CID101433047
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
SMILESCC(C)=CCCC(C)C(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)8-7-9-11(3)12(16)15-13(17)18-14(4,5)6/h8,11H,7,9H2,1-6H3,(H,15,16,17)
InChIKeyDFWJEEYYTQGOLC-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.42
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

ethyl 4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 123550567
tert-butyl N-(4-methylpenta-1,3-dien-2-yl)carbamate
CID 90352815
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
(2S)-5-methyl-6-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 157241573
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-ethanethioylcarbamate
CID 20745944
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 14370745
methyl (2S)-7-(1-aminoethylideneamino)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 91616251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate?
The IUPAC name of tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate (CID 101433047) is tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate?
The canonical SMILES for tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate is CC(C)=CCCC(C)C(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate?
The InChIKey is DFWJEEYYTQGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)8-7-9-11(3)12(16)15-13(17)18-14(4,5)6/h8,11H,7,9H2,1-6H3,(H,15,16,17).
What are the key properties of tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate?
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate is sourced from PubChem (CID 101433047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).