dec-8-en-2-yl(ethyl)carbamic acid

C13H25NO2 — CID 175573377

IUPACdec-8-en-2-yl(ethyl)carbamic acid
SMILESCC=CCCCCCC(C)N(CC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-6-7-8-9-10-11-12(3)14(5-2)13(15)16/h4,6,12H,5,7-11H2,1-3H3,(H,15,16)
InChIKeyGVQKMIVJAAVTDN-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.90
Rot. Bonds8

About dec-8-en-2-yl(ethyl)carbamic acid

dec-8-en-2-yl(ethyl)carbamic acid (PubChem CID 175573377) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is dec-8-en-2-yl(ethyl)carbamic acid.

Molecular Properties

Compound Namedec-8-en-2-yl(ethyl)carbamic acid
PubChem CID175573377
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namedec-8-en-2-yl(ethyl)carbamic acid
SMILESCC=CCCCCCC(C)N(CC)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-6-7-8-9-10-11-12(3)14(5-2)13(15)16/h4,6,12H,5,7-11H2,1-3H3,(H,15,16)
InChIKeyGVQKMIVJAAVTDN-UHFFFAOYSA-N
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-8-en-2-yl(ethyl)carbamic acid?
The IUPAC name of dec-8-en-2-yl(ethyl)carbamic acid (CID 175573377) is dec-8-en-2-yl(ethyl)carbamic acid.
What is the SMILES notation for dec-8-en-2-yl(ethyl)carbamic acid?
The canonical SMILES for dec-8-en-2-yl(ethyl)carbamic acid is CC=CCCCCCC(C)N(CC)C(=O)O.
What is the InChIKey of dec-8-en-2-yl(ethyl)carbamic acid?
The InChIKey is GVQKMIVJAAVTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-7-8-9-10-11-12(3)14(5-2)13(15)16/h4,6,12H,5,7-11H2,1-3H3,(H,15,16).
What are the key properties of dec-8-en-2-yl(ethyl)carbamic acid?
dec-8-en-2-yl(ethyl)carbamic acid has a molecular weight of 227.35 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-8-en-2-yl(ethyl)carbamic acid is sourced from PubChem (CID 175573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).