1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol

C15H12O — CID 101419672

IUPAC1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol
SMILESOC(C#CC1C=CC=C1)C#CC1C=CC=C1
InChIInChI=1S/C15H12O/c16-15(11-9-13-5-1-2-6-13)12-10-14-7-3-4-8-14/h1-8,13-16H
InChIKeyHLPBCVLCUJTBDR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds

About 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol

1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol (PubChem CID 101419672) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol.

Molecular Properties

Compound Name1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol
PubChem CID101419672
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol
SMILESOC(C#CC1C=CC=C1)C#CC1C=CC=C1
InChIInChI=1S/C15H12O/c16-15(11-9-13-5-1-2-6-13)12-10-14-7-3-4-8-14/h1-8,13-16H
InChIKeyHLPBCVLCUJTBDR-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
CID 11986414
3-Cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
CID 101337605

Frequently Asked Questions

What is the IUPAC name of 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol?
The IUPAC name of 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol (CID 101419672) is 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol.
What is the SMILES notation for 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol?
The canonical SMILES for 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol is OC(C#CC1C=CC=C1)C#CC1C=CC=C1.
What is the InChIKey of 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol?
The InChIKey is HLPBCVLCUJTBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-15(11-9-13-5-1-2-6-13)12-10-14-7-3-4-8-14/h1-8,13-16H.
What are the key properties of 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol?
1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol is sourced from PubChem (CID 101419672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).