acetic acid;bicyclo[2.2.0]hexane;ethane

C10H20O2 — CID 123577284

IUPACacetic acid;bicyclo[2.2.0]hexane;ethane
SMILESC1CC2CCC12.CC.CC(=O)O
InChIInChI=1S/C6H10.C2H4O2.C2H6/c1-2-6-4-3-5(1)6;1-2(3)4;1-2/h5-6H,1-4H2;1H3,(H,3,4);1-2H3
InChIKeyFHEKUQUKUWKAOO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.92
Rot. Bonds

About acetic acid;bicyclo[2.2.0]hexane;ethane

acetic acid;bicyclo[2.2.0]hexane;ethane (PubChem CID 123577284) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is acetic acid;bicyclo[2.2.0]hexane;ethane.

Molecular Properties

Compound Nameacetic acid;bicyclo[2.2.0]hexane;ethane
PubChem CID123577284
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameacetic acid;bicyclo[2.2.0]hexane;ethane
SMILESC1CC2CCC12.CC.CC(=O)O
InChIInChI=1S/C6H10.C2H4O2.C2H6/c1-2-6-4-3-5(1)6;1-2(3)4;1-2/h5-6H,1-4H2;1H3,(H,3,4);1-2H3
InChIKeyFHEKUQUKUWKAOO-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;bicyclo[2.2.0]hexane;ethane?
The IUPAC name of acetic acid;bicyclo[2.2.0]hexane;ethane (CID 123577284) is acetic acid;bicyclo[2.2.0]hexane;ethane.
What is the SMILES notation for acetic acid;bicyclo[2.2.0]hexane;ethane?
The canonical SMILES for acetic acid;bicyclo[2.2.0]hexane;ethane is C1CC2CCC12.CC.CC(=O)O.
What is the InChIKey of acetic acid;bicyclo[2.2.0]hexane;ethane?
The InChIKey is FHEKUQUKUWKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H4O2.C2H6/c1-2-6-4-3-5(1)6;1-2(3)4;1-2/h5-6H,1-4H2;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;bicyclo[2.2.0]hexane;ethane?
acetic acid;bicyclo[2.2.0]hexane;ethane has a molecular weight of 172.27 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bicyclo[2.2.0]hexane;ethane is sourced from PubChem (CID 123577284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).