3-ethyl-3-methylcyclopenta-1,4-dien-1-ol

C8H12O — CID 163478961

IUPAC3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
SMILESCCC1(C)C=CC(O)=C1
InChIInChI=1S/C8H12O/c1-3-8(2)5-4-7(9)6-8/h4-6,9H,3H2,1-2H3
InChIKeyCCWOOBAVPWQPHJ-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.41
Rot. Bonds1

About 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol

3-ethyl-3-methylcyclopenta-1,4-dien-1-ol (PubChem CID 163478961) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
PubChem CID163478961
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
SMILESCCC1(C)C=CC(O)=C1
InChIInChI=1S/C8H12O/c1-3-8(2)5-4-7(9)6-8/h4-6,9H,3H2,1-2H3
InChIKeyCCWOOBAVPWQPHJ-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol?
The IUPAC name of 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol (CID 163478961) is 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol.
What is the SMILES notation for 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol?
The canonical SMILES for 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol is CCC1(C)C=CC(O)=C1.
What is the InChIKey of 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol?
The InChIKey is CCWOOBAVPWQPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-8(2)5-4-7(9)6-8/h4-6,9H,3H2,1-2H3.
What are the key properties of 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol?
3-ethyl-3-methylcyclopenta-1,4-dien-1-ol has a molecular weight of 124.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylcyclopenta-1,4-dien-1-ol is sourced from PubChem (CID 163478961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).