2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol

C9H10O — CID 89328023

IUPAC2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol
SMILESOC1=C(C2=CCCC=C2)C1
InChIInChI=1S/C9H10O/c10-9-6-8(9)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6H2
InChIKeyOAUQBLYHGRZNIM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.48
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol

2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol (PubChem CID 89328023) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol
PubChem CID89328023
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol
SMILESOC1=C(C2=CCCC=C2)C1
InChIInChI=1S/C9H10O/c10-9-6-8(9)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6H2
InChIKeyOAUQBLYHGRZNIM-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol (CID 89328023) is 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol is OC1=C(C2=CCCC=C2)C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol?
The InChIKey is OAUQBLYHGRZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c10-9-6-8(9)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol?
2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol has a molecular weight of 134.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylcyclopropen-1-ol is sourced from PubChem (CID 89328023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).