1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol

C11H14O3 — CID 174485251

IUPAC1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
SMILESC1=CCC(C2=CC=CC2)=C1.OC(O)O
InChIInChI=1S/C10H10.CH4O3/c1-2-6-9(5-1)10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;1-4H
InChIKeyUKRXPFBBCKFXLB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol (PubChem CID 174485251) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
PubChem CID174485251
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
SMILESC1=CCC(C2=CC=CC2)=C1.OC(O)O
InChIInChI=1S/C10H10.CH4O3/c1-2-6-9(5-1)10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;1-4H
InChIKeyUKRXPFBBCKFXLB-UHFFFAOYSA-N
XLogP1.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol (CID 174485251) is 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol is C1=CCC(C2=CC=CC2)=C1.OC(O)O.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol?
The InChIKey is UKRXPFBBCKFXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.CH4O3/c1-2-6-9(5-1)10-7-3-4-8-10;2-1(3)4/h1-5,7H,6,8H2;1-4H.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol?
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol has a molecular weight of 194.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol is sourced from PubChem (CID 174485251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).