bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol

C9H8O — CID 175441763

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol
SMILESC#CCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H4O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1,4H,3H2
InChIKeyLRPVDQVLPJXQQN-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.28
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol

bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol (PubChem CID 175441763) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol
PubChem CID175441763
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol
SMILESC#CCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H4O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1,4H,3H2
InChIKeyLRPVDQVLPJXQQN-UHFFFAOYSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol (CID 175441763) is bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol is C#CCO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol?
The InChIKey is LRPVDQVLPJXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H4O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;1,4H,3H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol?
bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol has a molecular weight of 132.16 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;prop-2-yn-1-ol is sourced from PubChem (CID 175441763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).