2,2-di(cyclopenta-1,3-dien-1-yl)ethanol

C12H14O — CID 22274817

IUPAC2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
SMILESOCC(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H14O/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,12-13H,6,8-9H2
InChIKeyZULZBJKEDBQBTH-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.37
Rot. Bonds3

About 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol

2,2-di(cyclopenta-1,3-dien-1-yl)ethanol (PubChem CID 22274817) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol.

Molecular Properties

Compound Name2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
PubChem CID22274817
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
SMILESOCC(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C12H14O/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,12-13H,6,8-9H2
InChIKeyZULZBJKEDBQBTH-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol?
The IUPAC name of 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol (CID 22274817) is 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol.
What is the SMILES notation for 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol?
The canonical SMILES for 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol is OCC(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol?
The InChIKey is ZULZBJKEDBQBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h1-5,7,12-13H,6,8-9H2.
What are the key properties of 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol?
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol has a molecular weight of 174.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenta-1,3-dien-1-yl)ethanol is sourced from PubChem (CID 22274817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).