tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate

C16H29NO3 — CID 70260086

IUPACtert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate
SMILESC/C=C(\OCC)C(CC1CCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-6-14(19-7-2)13(11-12-9-8-10-12)17-15(18)20-16(3,4)5/h6,12-13H,7-11H2,1-5H3,(H,17,18)/b14-6-
InChIKeyYDXICADHBBCUBO-NSIKDUERSA-N
MW283.41 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate

tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate (PubChem CID 70260086) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate
PubChem CID70260086
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate
SMILESC/C=C(\OCC)C(CC1CCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-6-14(19-7-2)13(11-12-9-8-10-12)17-15(18)20-16(3,4)5/h6,12-13H,7-11H2,1-5H3,(H,17,18)/b14-6-
InChIKeyYDXICADHBBCUBO-NSIKDUERSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate (CID 70260086) is tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate is C/C=C(\OCC)C(CC1CCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate?
The InChIKey is YDXICADHBBCUBO-NSIKDUERSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-14(19-7-2)13(11-12-9-8-10-12)17-15(18)20-16(3,4)5/h6,12-13H,7-11H2,1-5H3,(H,17,18)/b14-6-.
What are the key properties of tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate?
tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate has a molecular weight of 283.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-cyclobutyl-3-ethoxypent-3-en-2-yl]carbamate is sourced from PubChem (CID 70260086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).