1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane

C10H18O2 — CID 158667132

IUPAC1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane
SMILESC=C1CCC1.OCC1(O)CCC1
InChIInChI=1S/C5H10O2.C5H8/c6-4-5(7)2-1-3-5;1-5-3-2-4-5/h6-7H,1-4H2;1-4H2
InChIKeyIDMOXCGNTBSGIH-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds1

About 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane

1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane (PubChem CID 158667132) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane.

Molecular Properties

Compound Name1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane
PubChem CID158667132
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane
SMILESC=C1CCC1.OCC1(O)CCC1
InChIInChI=1S/C5H10O2.C5H8/c6-4-5(7)2-1-3-5;1-5-3-2-4-5/h6-7H,1-4H2;1-4H2
InChIKeyIDMOXCGNTBSGIH-UHFFFAOYSA-N
XLogP1.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane?
The IUPAC name of 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane (CID 158667132) is 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane.
What is the SMILES notation for 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane?
The canonical SMILES for 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane is C=C1CCC1.OCC1(O)CCC1.
What is the InChIKey of 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane?
The InChIKey is IDMOXCGNTBSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C5H8/c6-4-5(7)2-1-3-5;1-5-3-2-4-5/h6-7H,1-4H2;1-4H2.
What are the key properties of 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane?
1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane has a molecular weight of 170.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)cyclobutan-1-ol;methylidenecyclobutane is sourced from PubChem (CID 158667132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).