3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol

C7H12O2 — CID 141212143

IUPAC3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1C(O)CCC1CO
InChIInChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2
InChIKeyMKZDQTNXKABRCU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds1

About 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol

3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol (PubChem CID 141212143) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
PubChem CID141212143
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
SMILESC=C1C(O)CCC1CO
InChIInChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2
InChIKeyMKZDQTNXKABRCU-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
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 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol (CID 141212143) is 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol is C=C1C(O)CCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
The InChIKey is MKZDQTNXKABRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-6(4-8)2-3-7(5)9/h6-9H,1-4H2.
What are the key properties of 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol?
3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 141212143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).