2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol

C11H16O2 — CID 118064938

IUPAC2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(CC)=CC(OCC)=C1O
InChIInChI=1S/C11H16O2/c1-4-9-6-8(3)11(12)10(7-9)13-5-2/h7,12H,3-6H2,1-2H3
InChIKeyQMGVEABBCOBZPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.09
Rot. Bonds3

About 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol

2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 118064938) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID118064938
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1CC(CC)=CC(OCC)=C1O
InChIInChI=1S/C11H16O2/c1-4-9-6-8(3)11(12)10(7-9)13-5-2/h7,12H,3-6H2,1-2H3
InChIKeyQMGVEABBCOBZPV-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol (CID 118064938) is 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol is C=C1CC(CC)=CC(OCC)=C1O.
What is the InChIKey of 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is QMGVEABBCOBZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-9-6-8(3)11(12)10(7-9)13-5-2/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol?
2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 180.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-ethyl-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 118064938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).