ethyl N-(4,8-dimethylnon-7-enyl)carbamate

C14H27NO2 — CID 89346957

IUPACethyl N-(4,8-dimethylnon-7-enyl)carbamate
SMILESCCOC(=O)NCCCC(C)CCC=C(C)C
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)15-11-7-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3,(H,15,16)
InChIKeyMQEYDTIDECJHJZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.90
Rot. Bonds8

About ethyl N-(4,8-dimethylnon-7-enyl)carbamate

ethyl N-(4,8-dimethylnon-7-enyl)carbamate (PubChem CID 89346957) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl N-(4,8-dimethylnon-7-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,8-dimethylnon-7-enyl)carbamate
PubChem CID89346957
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl N-(4,8-dimethylnon-7-enyl)carbamate
SMILESCCOC(=O)NCCCC(C)CCC=C(C)C
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)15-11-7-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3,(H,15,16)
InChIKeyMQEYDTIDECJHJZ-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl N-(4,8-dimethylnon-7-enyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,8-dimethylnon-7-enyl)carbamate?
The IUPAC name of ethyl N-(4,8-dimethylnon-7-enyl)carbamate (CID 89346957) is ethyl N-(4,8-dimethylnon-7-enyl)carbamate.
What is the SMILES notation for ethyl N-(4,8-dimethylnon-7-enyl)carbamate?
The canonical SMILES for ethyl N-(4,8-dimethylnon-7-enyl)carbamate is CCOC(=O)NCCCC(C)CCC=C(C)C.
What is the InChIKey of ethyl N-(4,8-dimethylnon-7-enyl)carbamate?
The InChIKey is MQEYDTIDECJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-14(16)15-11-7-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-(4,8-dimethylnon-7-enyl)carbamate?
ethyl N-(4,8-dimethylnon-7-enyl)carbamate has a molecular weight of 241.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,8-dimethylnon-7-enyl)carbamate is sourced from PubChem (CID 89346957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).