3-pentoxycyclopentan-1-ol

C10H20O2 — CID 18953102

IUPAC3-pentoxycyclopentan-1-ol
SMILESCCCCCOC1CCC(O)C1
InChIInChI=1S/C10H20O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h9-11H,2-8H2,1H3
InChIKeyXVFAFJJMXLJSJG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds5

About 3-pentoxycyclopentan-1-ol

3-pentoxycyclopentan-1-ol (PubChem CID 18953102) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-pentoxycyclopentan-1-ol.

Molecular Properties

Compound Name3-pentoxycyclopentan-1-ol
PubChem CID18953102
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-pentoxycyclopentan-1-ol
SMILESCCCCCOC1CCC(O)C1
InChIInChI=1S/C10H20O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h9-11H,2-8H2,1H3
InChIKeyXVFAFJJMXLJSJG-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentoxycyclopentan-1-ol?
The IUPAC name of 3-pentoxycyclopentan-1-ol (CID 18953102) is 3-pentoxycyclopentan-1-ol.
What is the SMILES notation for 3-pentoxycyclopentan-1-ol?
The canonical SMILES for 3-pentoxycyclopentan-1-ol is CCCCCOC1CCC(O)C1.
What is the InChIKey of 3-pentoxycyclopentan-1-ol?
The InChIKey is XVFAFJJMXLJSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-pentoxycyclopentan-1-ol?
3-pentoxycyclopentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxycyclopentan-1-ol is sourced from PubChem (CID 18953102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).