2-cyclopentylacetaldehyde;2-cyclopentylethanol

C14H26O2 — CID 158462189

IUPAC2-cyclopentylacetaldehyde;2-cyclopentylethanol
SMILESO=CCC1CCCC1.OCCC1CCCC1
InChIInChI=1S/C7H14O.C7H12O/c2*8-6-5-7-3-1-2-4-7/h7-8H,1-6H2;6-7H,1-5H2
InChIKeyHFHWSYBKVIIHPT-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclopentylacetaldehyde;2-cyclopentylethanol

2-cyclopentylacetaldehyde;2-cyclopentylethanol (PubChem CID 158462189) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclopentylacetaldehyde;2-cyclopentylethanol.

Molecular Properties

Compound Name2-cyclopentylacetaldehyde;2-cyclopentylethanol
PubChem CID158462189
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-cyclopentylacetaldehyde;2-cyclopentylethanol
SMILESO=CCC1CCCC1.OCCC1CCCC1
InChIInChI=1S/C7H14O.C7H12O/c2*8-6-5-7-3-1-2-4-7/h7-8H,1-6H2;6-7H,1-5H2
InChIKeyHFHWSYBKVIIHPT-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.32
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 2-cyclopentylacetaldehyde;2-cyclopentylethanol?
The IUPAC name of 2-cyclopentylacetaldehyde;2-cyclopentylethanol (CID 158462189) is 2-cyclopentylacetaldehyde;2-cyclopentylethanol.
What is the SMILES notation for 2-cyclopentylacetaldehyde;2-cyclopentylethanol?
The canonical SMILES for 2-cyclopentylacetaldehyde;2-cyclopentylethanol is O=CCC1CCCC1.OCCC1CCCC1.
What is the InChIKey of 2-cyclopentylacetaldehyde;2-cyclopentylethanol?
The InChIKey is HFHWSYBKVIIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C7H12O/c2*8-6-5-7-3-1-2-4-7/h7-8H,1-6H2;6-7H,1-5H2.
What are the key properties of 2-cyclopentylacetaldehyde;2-cyclopentylethanol?
2-cyclopentylacetaldehyde;2-cyclopentylethanol has a molecular weight of 226.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylacetaldehyde;2-cyclopentylethanol is sourced from PubChem (CID 158462189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).