bicyclo[2.2.0]hexane;ethanol

C8H16O — CID 66985462

IUPACbicyclo[2.2.0]hexane;ethanol
SMILESC1CC2CCC12.CCO
InChIInChI=1S/C6H10.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyFLQRRMHGDKIZGA-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds

About bicyclo[2.2.0]hexane;ethanol

bicyclo[2.2.0]hexane;ethanol (PubChem CID 66985462) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;ethanol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;ethanol
PubChem CID66985462
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namebicyclo[2.2.0]hexane;ethanol
SMILESC1CC2CCC12.CCO
InChIInChI=1S/C6H10.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyFLQRRMHGDKIZGA-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane;ethanol?
The IUPAC name of bicyclo[2.2.0]hexane;ethanol (CID 66985462) is bicyclo[2.2.0]hexane;ethanol.
What is the SMILES notation for bicyclo[2.2.0]hexane;ethanol?
The canonical SMILES for bicyclo[2.2.0]hexane;ethanol is C1CC2CCC12.CCO.
What is the InChIKey of bicyclo[2.2.0]hexane;ethanol?
The InChIKey is FLQRRMHGDKIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of bicyclo[2.2.0]hexane;ethanol?
bicyclo[2.2.0]hexane;ethanol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 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]hexane;ethanol is sourced from PubChem (CID 66985462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).