ethanol;3,4,4-trimethylcyclopentene

C10H20O — CID 145186044

IUPACethanol;3,4,4-trimethylcyclopentene
SMILESCC1C=CCC1(C)C.CCO
InChIInChI=1S/C8H14.C2H6O/c1-7-5-4-6-8(7,2)3;1-2-3/h4-5,7H,6H2,1-3H3;3H,2H2,1H3
InChIKeyONQGIMNQQXCDKA-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds

About ethanol;3,4,4-trimethylcyclopentene

ethanol;3,4,4-trimethylcyclopentene (PubChem CID 145186044) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is ethanol;3,4,4-trimethylcyclopentene.

Molecular Properties

Compound Nameethanol;3,4,4-trimethylcyclopentene
PubChem CID145186044
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nameethanol;3,4,4-trimethylcyclopentene
SMILESCC1C=CCC1(C)C.CCO
InChIInChI=1S/C8H14.C2H6O/c1-7-5-4-6-8(7,2)3;1-2-3/h4-5,7H,6H2,1-3H3;3H,2H2,1H3
InChIKeyONQGIMNQQXCDKA-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethanol;3,4,4-trimethylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanol;3,4,4-trimethylcyclopentene?
The IUPAC name of ethanol;3,4,4-trimethylcyclopentene (CID 145186044) is ethanol;3,4,4-trimethylcyclopentene.
What is the SMILES notation for ethanol;3,4,4-trimethylcyclopentene?
The canonical SMILES for ethanol;3,4,4-trimethylcyclopentene is CC1C=CCC1(C)C.CCO.
What is the InChIKey of ethanol;3,4,4-trimethylcyclopentene?
The InChIKey is ONQGIMNQQXCDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2H6O/c1-7-5-4-6-8(7,2)3;1-2-3/h4-5,7H,6H2,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;3,4,4-trimethylcyclopentene?
ethanol;3,4,4-trimethylcyclopentene has a molecular weight of 156.27 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3,4,4-trimethylcyclopentene is sourced from PubChem (CID 145186044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).