ethyl hept-1-en-3-yl carbonate

C10H18O3 — CID 13164697

IUPACethyl hept-1-en-3-yl carbonate
SMILESC=CC(CCCC)OC(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-7-8-9(5-2)13-10(11)12-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyRHHQFOKUCIZOEX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds6

About ethyl hept-1-en-3-yl carbonate

ethyl hept-1-en-3-yl carbonate (PubChem CID 13164697) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl hept-1-en-3-yl carbonate.

Molecular Properties

Compound Nameethyl hept-1-en-3-yl carbonate
PubChem CID13164697
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl hept-1-en-3-yl carbonate
SMILESC=CC(CCCC)OC(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-7-8-9(5-2)13-10(11)12-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyRHHQFOKUCIZOEX-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl hept-1-en-3-yl carbonate 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 hept-1-en-3-yl carbonate?
The IUPAC name of ethyl hept-1-en-3-yl carbonate (CID 13164697) is ethyl hept-1-en-3-yl carbonate.
What is the SMILES notation for ethyl hept-1-en-3-yl carbonate?
The canonical SMILES for ethyl hept-1-en-3-yl carbonate is C=CC(CCCC)OC(=O)OCC.
What is the InChIKey of ethyl hept-1-en-3-yl carbonate?
The InChIKey is RHHQFOKUCIZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-7-8-9(5-2)13-10(11)12-6-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of ethyl hept-1-en-3-yl carbonate?
ethyl hept-1-en-3-yl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hept-1-en-3-yl carbonate is sourced from PubChem (CID 13164697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).