tert-butyl N-(2-methylhex-5-en-3-yl)carbamate

C12H23NO2 — CID 72969694

IUPACtert-butyl N-(2-methylhex-5-en-3-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyKULMJAKDQDSUPM-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl N-(2-methylhex-5-en-3-yl)carbamate

tert-butyl N-(2-methylhex-5-en-3-yl)carbamate (PubChem CID 72969694) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-(2-methylhex-5-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylhex-5-en-3-yl)carbamate
PubChem CID72969694
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-(2-methylhex-5-en-3-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyKULMJAKDQDSUPM-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylhex-5-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methylhex-5-en-3-yl)carbamate (CID 72969694) is tert-butyl N-(2-methylhex-5-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylhex-5-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylhex-5-en-3-yl)carbamate is C=CCC(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-(2-methylhex-5-en-3-yl)carbamate?
The InChIKey is KULMJAKDQDSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-8-10(9(2)3)13-11(14)15-12(4,5)6/h7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of tert-butyl N-(2-methylhex-5-en-3-yl)carbamate?
tert-butyl N-(2-methylhex-5-en-3-yl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylhex-5-en-3-yl)carbamate is sourced from PubChem (CID 72969694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).