tert-butyl N-hepta-1,6-dien-4-ylcarbamate

C12H21NO2 — CID 11052953

IUPACtert-butyl N-hepta-1,6-dien-4-ylcarbamate
SMILESC=CCC(CC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-6-8-10(9-7-2)13-11(14)15-12(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3,(H,13,14)
InChIKeyKMTUXQKIDDQFSM-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl N-hepta-1,6-dien-4-ylcarbamate

tert-butyl N-hepta-1,6-dien-4-ylcarbamate (PubChem CID 11052953) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-hepta-1,6-dien-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-hepta-1,6-dien-4-ylcarbamate
PubChem CID11052953
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-hepta-1,6-dien-4-ylcarbamate
SMILESC=CCC(CC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-6-8-10(9-7-2)13-11(14)15-12(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3,(H,13,14)
InChIKeyKMTUXQKIDDQFSM-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.03
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 pent-4-EN-1-ylcarbamate
CID 12181732
10-N-Boc-amino-dec-1-ene
CID 2756765
Tert-butyl but-3-EN-1-ylcarbamate
CID 11263760
N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-butyl N-(3-methylidenecyclobutyl)carbamate
CID 28875369
rac-tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
CID 54277191
tert-butyl N-(2-methylbut-3-en-1-yl)carbamate
CID 59650911
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-(2-aminopent-4-en-1-yl)carbamate
CID 130041824
tert-butyl N-[(2R)-2-fluorobut-3-enyl]carbamate
CID 178342341

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hepta-1,6-dien-4-ylcarbamate?
The IUPAC name of tert-butyl N-hepta-1,6-dien-4-ylcarbamate (CID 11052953) is tert-butyl N-hepta-1,6-dien-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-hepta-1,6-dien-4-ylcarbamate?
The canonical SMILES for tert-butyl N-hepta-1,6-dien-4-ylcarbamate is C=CCC(CC=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hepta-1,6-dien-4-ylcarbamate?
The InChIKey is KMTUXQKIDDQFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-8-10(9-7-2)13-11(14)15-12(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3,(H,13,14).
What are the key properties of tert-butyl N-hepta-1,6-dien-4-ylcarbamate?
tert-butyl N-hepta-1,6-dien-4-ylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hepta-1,6-dien-4-ylcarbamate is sourced from PubChem (CID 11052953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).