[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate

C13H25NO2 — CID 11651522

IUPAC[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCCCC/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-9-10-16-13(15)14(11(2)3)12(4)5/h9-12H,6-8H2,1-5H3/b10-9-
InChIKeyKYNBEHGAQYIXDK-KTKRTIGZSA-N
MW227.35 g/mol
LogP3.95
Rot. Bonds6

About [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate

[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 11651522) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID11651522
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCCCC/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO2/c1-6-7-8-9-10-16-13(15)14(11(2)3)12(4)5/h9-12H,6-8H2,1-5H3/b10-9-
InChIKeyKYNBEHGAQYIXDK-KTKRTIGZSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate (CID 11651522) is [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate is CCCC/C=C\OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is KYNBEHGAQYIXDK-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-7-8-9-10-16-13(15)14(11(2)3)12(4)5/h9-12H,6-8H2,1-5H3/b10-9-.
What are the key properties of [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).