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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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;bis(2-methylprop-2-enoic acid)
CID 174976084
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
CID 173425674
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
CID 170388285
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
CID 102441252

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).