1-hydroxycyclopentane-1-carbaldehyde

C6H10O2 — CID 12517166

IUPAC1-hydroxycyclopentane-1-carbaldehyde
SMILESO=CC1(O)CCCC1
InChIInChI=1S/C6H10O2/c7-5-6(8)3-1-2-4-6/h5,8H,1-4H2
InChIKeyAAHFAABFNIYXPY-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.49
Rot. Bonds1

About 1-hydroxycyclopentane-1-carbaldehyde

1-hydroxycyclopentane-1-carbaldehyde (PubChem CID 12517166) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-hydroxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxycyclopentane-1-carbaldehyde
PubChem CID12517166
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-hydroxycyclopentane-1-carbaldehyde
SMILESO=CC1(O)CCCC1
InChIInChI=1S/C6H10O2/c7-5-6(8)3-1-2-4-6/h5,8H,1-4H2
InChIKeyAAHFAABFNIYXPY-UHFFFAOYSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclopentane-1-carbaldehyde?
The IUPAC name of 1-hydroxycyclopentane-1-carbaldehyde (CID 12517166) is 1-hydroxycyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-hydroxycyclopentane-1-carbaldehyde?
The canonical SMILES for 1-hydroxycyclopentane-1-carbaldehyde is O=CC1(O)CCCC1.
What is the InChIKey of 1-hydroxycyclopentane-1-carbaldehyde?
The InChIKey is AAHFAABFNIYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-6(8)3-1-2-4-6/h5,8H,1-4H2.
What are the key properties of 1-hydroxycyclopentane-1-carbaldehyde?
1-hydroxycyclopentane-1-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 12517166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).