ethyl oct-1-en-3-yl carbonate

C11H20O3 — CID 15062958

IUPACethyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OCC
InChIInChI=1S/C11H20O3/c1-4-7-8-9-10(5-2)14-11(12)13-6-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyMEQCILZSZLBSNR-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds7

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

ethyl oct-1-en-3-yl carbonate (PubChem CID 15062958) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl oct-1-en-3-yl carbonate.

Molecular Properties

Compound Nameethyl oct-1-en-3-yl carbonate
PubChem CID15062958
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl oct-1-en-3-yl carbonate
SMILESC=CC(CCCCC)OC(=O)OCC
InChIInChI=1S/C11H20O3/c1-4-7-8-9-10(5-2)14-11(12)13-6-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyMEQCILZSZLBSNR-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-yl acetate
CID 17121
1-Octen-3-YL propionate
CID 545739
(3R)-1-Octen-3-yl acetate
CID 11019298
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
Cyclohept-2-enyl methyl carbonate
CID 11378741
Hex-1-en-3-yl methyl carbonate
CID 13023578
Hept-1-en-3-yl methyl carbonate
CID 14170338
(S)-3-acetoxy-1-octene
CID 22805587
Tert-butyl oct-1-en-3-yl carbonate
CID 87989403
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
Methyl non-1-en-3-yl carbonate
CID 102291111
1-Hexylallyl formate
CID 3020028

Frequently Asked Questions

What is the IUPAC name of ethyl oct-1-en-3-yl carbonate?
The IUPAC name of ethyl oct-1-en-3-yl carbonate (CID 15062958) is ethyl oct-1-en-3-yl carbonate.
What is the SMILES notation for ethyl oct-1-en-3-yl carbonate?
The canonical SMILES for ethyl oct-1-en-3-yl carbonate is C=CC(CCCCC)OC(=O)OCC.
What is the InChIKey of ethyl oct-1-en-3-yl carbonate?
The InChIKey is MEQCILZSZLBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-7-8-9-10(5-2)14-11(12)13-6-3/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of ethyl oct-1-en-3-yl carbonate?
ethyl oct-1-en-3-yl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl oct-1-en-3-yl carbonate is sourced from PubChem (CID 15062958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).