ethyl 6,6-dimethylhepta-3,4-dienoate

C11H18O2 — CID 14982536

IUPACethyl 6,6-dimethylhepta-3,4-dienoate
SMILESCCOC(=O)CC=C=CC(C)(C)C
InChIInChI=1S/C11H18O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h6,9H,5,8H2,1-4H3
InChIKeyUYVYNYUIFKKCJL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.70
Rot. Bonds3

About ethyl 6,6-dimethylhepta-3,4-dienoate

ethyl 6,6-dimethylhepta-3,4-dienoate (PubChem CID 14982536) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 6,6-dimethylhepta-3,4-dienoate.

Molecular Properties

Compound Nameethyl 6,6-dimethylhepta-3,4-dienoate
PubChem CID14982536
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 6,6-dimethylhepta-3,4-dienoate
SMILESCCOC(=O)CC=C=CC(C)(C)C
InChIInChI=1S/C11H18O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h6,9H,5,8H2,1-4H3
InChIKeyUYVYNYUIFKKCJL-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,6-dimethylhepta-3,4-dienoate?
The IUPAC name of ethyl 6,6-dimethylhepta-3,4-dienoate (CID 14982536) is ethyl 6,6-dimethylhepta-3,4-dienoate.
What is the SMILES notation for ethyl 6,6-dimethylhepta-3,4-dienoate?
The canonical SMILES for ethyl 6,6-dimethylhepta-3,4-dienoate is CCOC(=O)CC=C=CC(C)(C)C.
What is the InChIKey of ethyl 6,6-dimethylhepta-3,4-dienoate?
The InChIKey is UYVYNYUIFKKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h6,9H,5,8H2,1-4H3.
What are the key properties of ethyl 6,6-dimethylhepta-3,4-dienoate?
ethyl 6,6-dimethylhepta-3,4-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,6-dimethylhepta-3,4-dienoate is sourced from PubChem (CID 14982536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).