tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C16H29NO4 — CID 10017633

IUPACtert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCC/C=C\CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-8-9-10-11-12-17(13(18)20-15(2,3)4)14(19)21-16(5,6)7/h10-11H,8-9,12H2,1-7H3/b11-10-
InChIKeyUOMAXDSMOZJWAR-KHPPLWFESA-N
MW299.41 g/mol
LogP4.51
Rot. Bonds4

About tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 10017633) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID10017633
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCCC/C=C\CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-8-9-10-11-12-17(13(18)20-15(2,3)4)14(19)21-16(5,6)7/h10-11H,8-9,12H2,1-7H3/b11-10-
InChIKeyUOMAXDSMOZJWAR-KHPPLWFESA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 10244201
tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate
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tert-butyl 2,2-dimethyl-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 137943158
tert-butyl N-(5,5-dimethylhexa-2,3-dienyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11609526
tert-butyl N-(5-methylhexa-2,3-dienyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 101384936
tert-butyl N-but-3-en-2-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143446
tert-butyl N-[(E)-5-fluoro-2-methylhex-2-enyl]-N-methylcarbamate
CID 162378290
tert-butyl N-cyclohex-2-en-1-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 9971859
N-tert-butoxycarbonyl-N-[(E)-hex-2-enyl]-carbamic acid tert-butyl ester
CID 9994925
tert-butyl N-[(Z)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10038836
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-3-en-2-yl]carbamate
CID 10469183
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 10017633) is tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCC/C=C\CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is UOMAXDSMOZJWAR-KHPPLWFESA-N. The full InChI is InChI=1S/C16H29NO4/c1-8-9-10-11-12-17(13(18)20-15(2,3)4)14(19)21-16(5,6)7/h10-11H,8-9,12H2,1-7H3/b11-10-.
What are the key properties of tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-hex-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 10017633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).