cyclopenta-1,3-diene;pentane-1,5-diol

C10H18O2 — CID 141162191

IUPACcyclopenta-1,3-diene;pentane-1,5-diol
SMILESC1=CCC=C1.OCCCCCO
InChIInChI=1S/C5H12O2.C5H6/c6-4-2-1-3-5-7;1-2-4-5-3-1/h6-7H,1-5H2;1-4H,5H2
InChIKeyHAXLKKGRAKICDR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds4

About cyclopenta-1,3-diene;pentane-1,5-diol

cyclopenta-1,3-diene;pentane-1,5-diol (PubChem CID 141162191) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cyclopenta-1,3-diene;pentane-1,5-diol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;pentane-1,5-diol
PubChem CID141162191
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecyclopenta-1,3-diene;pentane-1,5-diol
SMILESC1=CCC=C1.OCCCCCO
InChIInChI=1S/C5H12O2.C5H6/c6-4-2-1-3-5-7;1-2-4-5-3-1/h6-7H,1-5H2;1-4H,5H2
InChIKeyHAXLKKGRAKICDR-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
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 cyclopenta-1,3-diene;pentane-1,5-diol?
The IUPAC name of cyclopenta-1,3-diene;pentane-1,5-diol (CID 141162191) is cyclopenta-1,3-diene;pentane-1,5-diol.
What is the SMILES notation for cyclopenta-1,3-diene;pentane-1,5-diol?
The canonical SMILES for cyclopenta-1,3-diene;pentane-1,5-diol is C1=CCC=C1.OCCCCCO.
What is the InChIKey of cyclopenta-1,3-diene;pentane-1,5-diol?
The InChIKey is HAXLKKGRAKICDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C5H6/c6-4-2-1-3-5-7;1-2-4-5-3-1/h6-7H,1-5H2;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;pentane-1,5-diol?
cyclopenta-1,3-diene;pentane-1,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;pentane-1,5-diol is sourced from PubChem (CID 141162191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).