2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol

C11H18O — CID 102577549

IUPAC2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol
SMILESCC1=C(C)C(CCO)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11-12H,5-6H2,1-4H3
InChIKeyBCHDNRPZKCMCQT-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

About 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol

2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol (PubChem CID 102577549) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol
PubChem CID102577549
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol
SMILESCC1=C(C)C(CCO)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11-12H,5-6H2,1-4H3
InChIKeyBCHDNRPZKCMCQT-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol (CID 102577549) is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol is CC1=C(C)C(CCO)C(C)=C1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol?
The InChIKey is BCHDNRPZKCMCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-8(2)10(4)11(5-6-12)9(7)3/h11-12H,5-6H2,1-4H3.
What are the key properties of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol?
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 102577549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).