1,4-diethylcyclohexa-2,4-dien-1-ol

C10H16O — CID 67887745

IUPAC1,4-diethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CCC(O)(CC)C=C1
InChIInChI=1S/C10H16O/c1-3-9-5-7-10(11,4-2)8-6-9/h5-7,11H,3-4,8H2,1-2H3
InChIKeyADGSTOGSCUJNKU-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds2

About 1,4-diethylcyclohexa-2,4-dien-1-ol

1,4-diethylcyclohexa-2,4-dien-1-ol (PubChem CID 67887745) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4-diethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-diethylcyclohexa-2,4-dien-1-ol
PubChem CID67887745
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,4-diethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CCC(O)(CC)C=C1
InChIInChI=1S/C10H16O/c1-3-9-5-7-10(11,4-2)8-6-9/h5-7,11H,3-4,8H2,1-2H3
InChIKeyADGSTOGSCUJNKU-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-diethylcyclohexa-2,4-dien-1-ol (CID 67887745) is 1,4-diethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-diethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-diethylcyclohexa-2,4-dien-1-ol is CCC1=CCC(O)(CC)C=C1.
What is the InChIKey of 1,4-diethylcyclohexa-2,4-dien-1-ol?
The InChIKey is ADGSTOGSCUJNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-9-5-7-10(11,4-2)8-6-9/h5-7,11H,3-4,8H2,1-2H3.
What are the key properties of 1,4-diethylcyclohexa-2,4-dien-1-ol?
1,4-diethylcyclohexa-2,4-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67887745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).