3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol

C13H22O2 — CID 23337166

IUPAC3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol
SMILESCCC1=CC(O)C(CC)(C(C)C)C=C1O
InChIInChI=1S/C13H22O2/c1-5-10-7-12(15)13(6-2,9(3)4)8-11(10)14/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyGUFXPLGEGNANIX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.19
Rot. Bonds3

About 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol

3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol (PubChem CID 23337166) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol
PubChem CID23337166
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol
SMILESCCC1=CC(O)C(CC)(C(C)C)C=C1O
InChIInChI=1S/C13H22O2/c1-5-10-7-12(15)13(6-2,9(3)4)8-11(10)14/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyGUFXPLGEGNANIX-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol (CID 23337166) is 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol is CCC1=CC(O)C(CC)(C(C)C)C=C1O.
What is the InChIKey of 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol?
The InChIKey is GUFXPLGEGNANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-10-7-12(15)13(6-2,9(3)4)8-11(10)14/h7-9,12,14-15H,5-6H2,1-4H3.
What are the key properties of 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol?
3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol has a molecular weight of 210.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-propan-2-ylcyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 23337166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).