cyclobutane;ethane-1,2-diol

C6H14O2 — CID 66583660

IUPACcyclobutane;ethane-1,2-diol
SMILESC1CCC1.OCCO
InChIInChI=1S/C4H8.C2H6O2/c1-2-4-3-1;3-1-2-4/h1-4H2;3-4H,1-2H2
InChIKeyFLAYAXKSFQRFMT-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.53
Rot. Bonds1

About cyclobutane;ethane-1,2-diol

cyclobutane;ethane-1,2-diol (PubChem CID 66583660) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is cyclobutane;ethane-1,2-diol.

Molecular Properties

Compound Namecyclobutane;ethane-1,2-diol
PubChem CID66583660
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namecyclobutane;ethane-1,2-diol
SMILESC1CCC1.OCCO
InChIInChI=1S/C4H8.C2H6O2/c1-2-4-3-1;3-1-2-4/h1-4H2;3-4H,1-2H2
InChIKeyFLAYAXKSFQRFMT-UHFFFAOYSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane-1,2-diol?
The IUPAC name of cyclobutane;ethane-1,2-diol (CID 66583660) is cyclobutane;ethane-1,2-diol.
What is the SMILES notation for cyclobutane;ethane-1,2-diol?
The canonical SMILES for cyclobutane;ethane-1,2-diol is C1CCC1.OCCO.
What is the InChIKey of cyclobutane;ethane-1,2-diol?
The InChIKey is FLAYAXKSFQRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H6O2/c1-2-4-3-1;3-1-2-4/h1-4H2;3-4H,1-2H2.
What are the key properties of cyclobutane;ethane-1,2-diol?
cyclobutane;ethane-1,2-diol has a molecular weight of 118.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane-1,2-diol is sourced from PubChem (CID 66583660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).