4-propylcyclohexa-2,4-diene-1,1-diol

C9H14O2 — CID 66628745

IUPAC4-propylcyclohexa-2,4-diene-1,1-diol
SMILESCCCC1=CCC(O)(O)C=C1
InChIInChI=1S/C9H14O2/c1-2-3-8-4-6-9(10,11)7-5-8/h4-6,10-11H,2-3,7H2,1H3
InChIKeyIRDUJGLYVUODAU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.35
Rot. Bonds2

About 4-propylcyclohexa-2,4-diene-1,1-diol

4-propylcyclohexa-2,4-diene-1,1-diol (PubChem CID 66628745) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-propylcyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-propylcyclohexa-2,4-diene-1,1-diol
PubChem CID66628745
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-propylcyclohexa-2,4-diene-1,1-diol
SMILESCCCC1=CCC(O)(O)C=C1
InChIInChI=1S/C9H14O2/c1-2-3-8-4-6-9(10,11)7-5-8/h4-6,10-11H,2-3,7H2,1H3
InChIKeyIRDUJGLYVUODAU-UHFFFAOYSA-N
XLogP1.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-propylcyclohexa-2,4-diene-1,1-diol (CID 66628745) is 4-propylcyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-propylcyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-propylcyclohexa-2,4-diene-1,1-diol is CCCC1=CCC(O)(O)C=C1.
What is the InChIKey of 4-propylcyclohexa-2,4-diene-1,1-diol?
The InChIKey is IRDUJGLYVUODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-8-4-6-9(10,11)7-5-8/h4-6,10-11H,2-3,7H2,1H3.
What are the key properties of 4-propylcyclohexa-2,4-diene-1,1-diol?
4-propylcyclohexa-2,4-diene-1,1-diol has a molecular weight of 154.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 66628745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).