1-methylcyclobutane-1,3-diol

C5H10O2 — CID 68944676

IUPAC1-methylcyclobutane-1,3-diol
SMILESCC1(O)CC(O)C1
InChIInChI=1S/C5H10O2/c1-5(7)2-4(6)3-5/h4,6-7H,2-3H2,1H3
InChIKeyJBKPAMWOSAMZIV-UHFFFAOYSA-N
MW102.13 g/mol
LogP-0.11
Rot. Bonds

About 1-methylcyclobutane-1,3-diol

1-methylcyclobutane-1,3-diol (PubChem CID 68944676) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-methylcyclobutane-1,3-diol.

Molecular Properties

Compound Name1-methylcyclobutane-1,3-diol
PubChem CID68944676
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-methylcyclobutane-1,3-diol
SMILESCC1(O)CC(O)C1
InChIInChI=1S/C5H10O2/c1-5(7)2-4(6)3-5/h4,6-7H,2-3H2,1H3
InChIKeyJBKPAMWOSAMZIV-UHFFFAOYSA-N
XLogP-0.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclobutane-1,3-diol?
The IUPAC name of 1-methylcyclobutane-1,3-diol (CID 68944676) is 1-methylcyclobutane-1,3-diol.
What is the SMILES notation for 1-methylcyclobutane-1,3-diol?
The canonical SMILES for 1-methylcyclobutane-1,3-diol is CC1(O)CC(O)C1.
What is the InChIKey of 1-methylcyclobutane-1,3-diol?
The InChIKey is JBKPAMWOSAMZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(7)2-4(6)3-5/h4,6-7H,2-3H2,1H3.
What are the key properties of 1-methylcyclobutane-1,3-diol?
1-methylcyclobutane-1,3-diol has a molecular weight of 102.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclobutane-1,3-diol is sourced from PubChem (CID 68944676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).