4-propylcyclohexa-1,5-dien-1-ol

C9H13O+ — CID 90914554

IUPAC4-propylcyclohexa-1,5-dien-1-ol
SMILES[CH2+]CCC1C=CC(O)=CC1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4,6-8H,1-3,5H2/p+1
InChIKeyPIHFKIGFJPCOSO-UHFFFAOYSA-O
MW137.20 g/mol
LogP2.62
Rot. Bonds2

About 4-propylcyclohexa-1,5-dien-1-ol

4-propylcyclohexa-1,5-dien-1-ol (PubChem CID 90914554) has the molecular formula C9H13O+ and a molecular weight of 137.20 g/mol. Its IUPAC name is 4-propylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-propylcyclohexa-1,5-dien-1-ol
PubChem CID90914554
Molecular FormulaC9H13O+
Molecular Weight137.20 g/mol
Exact Mass137.10
IUPAC Name4-propylcyclohexa-1,5-dien-1-ol
SMILES[CH2+]CCC1C=CC(O)=CC1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4,6-8H,1-3,5H2/p+1
InChIKeyPIHFKIGFJPCOSO-UHFFFAOYSA-O
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-propylcyclohexa-1,5-dien-1-ol (CID 90914554) is 4-propylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-propylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-propylcyclohexa-1,5-dien-1-ol is [CH2+]CCC1C=CC(O)=CC1.
What is the InChIKey of 4-propylcyclohexa-1,5-dien-1-ol?
The InChIKey is PIHFKIGFJPCOSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4,6-8H,1-3,5H2/p+1.
What are the key properties of 4-propylcyclohexa-1,5-dien-1-ol?
4-propylcyclohexa-1,5-dien-1-ol has a molecular weight of 137.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 90914554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).