tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate

C12H23NO2 — CID 101062005

IUPACtert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-8-9(11(2,3)4)13-10(14)15-12(5,6)7/h8-9H,1H2,2-7H3,(H,13,14)
InChIKeyPBYIJXORTQJZDB-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate

tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate (PubChem CID 101062005) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
PubChem CID101062005
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-8-9(11(2,3)4)13-10(14)15-12(5,6)7/h8-9H,1H2,2-7H3,(H,13,14)
InChIKeyPBYIJXORTQJZDB-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-hydroxy-2,2-dimethylhex-5-en-3-yl)carbamate
CID 85138928
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
CID 14541319
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
tert-butyl N-(5-oxopent-1-en-3-yl)carbamate
CID 87517564
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
methyl (2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 102278748
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate (CID 101062005) is tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate is C=CC(NC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate?
The InChIKey is PBYIJXORTQJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-9(11(2,3)4)13-10(14)15-12(5,6)7/h8-9H,1H2,2-7H3,(H,13,14).
What are the key properties of tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate?
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate is sourced from PubChem (CID 101062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).