2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene

C12H20O — CID 59271357

IUPAC2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene
SMILESCCOC1=C(C)C(C)CC=C1CC
InChIInChI=1S/C12H20O/c1-5-11-8-7-9(3)10(4)12(11)13-6-2/h8-9H,5-7H2,1-4H3
InChIKeyMFVPMDAASFDXNS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.67
Rot. Bonds3

About 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene

2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene (PubChem CID 59271357) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene
PubChem CID59271357
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene
SMILESCCOC1=C(C)C(C)CC=C1CC
InChIInChI=1S/C12H20O/c1-5-11-8-7-9(3)10(4)12(11)13-6-2/h8-9H,5-7H2,1-4H3
InChIKeyMFVPMDAASFDXNS-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene (CID 59271357) is 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene is CCOC1=C(C)C(C)CC=C1CC.
What is the InChIKey of 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene?
The InChIKey is MFVPMDAASFDXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-11-8-7-9(3)10(4)12(11)13-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene?
2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 59271357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).