1-ethyl-4,5,5-trimethylcyclopentene;methanol

C11H22O — CID 145195735

IUPAC1-ethyl-4,5,5-trimethylcyclopentene;methanol
SMILESCCC1=CCC(C)C1(C)C.CO
InChIInChI=1S/C10H18.CH4O/c1-5-9-7-6-8(2)10(9,3)4;1-2/h7-8H,5-6H2,1-4H3;2H,1H3
InChIKeyFUCXZYSKKWNPKO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.00
Rot. Bonds1

About 1-ethyl-4,5,5-trimethylcyclopentene;methanol

1-ethyl-4,5,5-trimethylcyclopentene;methanol (PubChem CID 145195735) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-ethyl-4,5,5-trimethylcyclopentene;methanol.

Molecular Properties

Compound Name1-ethyl-4,5,5-trimethylcyclopentene;methanol
PubChem CID145195735
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-ethyl-4,5,5-trimethylcyclopentene;methanol
SMILESCCC1=CCC(C)C1(C)C.CO
InChIInChI=1S/C10H18.CH4O/c1-5-9-7-6-8(2)10(9,3)4;1-2/h7-8H,5-6H2,1-4H3;2H,1H3
InChIKeyFUCXZYSKKWNPKO-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,5-trimethylcyclopentene;methanol?
The IUPAC name of 1-ethyl-4,5,5-trimethylcyclopentene;methanol (CID 145195735) is 1-ethyl-4,5,5-trimethylcyclopentene;methanol.
What is the SMILES notation for 1-ethyl-4,5,5-trimethylcyclopentene;methanol?
The canonical SMILES for 1-ethyl-4,5,5-trimethylcyclopentene;methanol is CCC1=CCC(C)C1(C)C.CO.
What is the InChIKey of 1-ethyl-4,5,5-trimethylcyclopentene;methanol?
The InChIKey is FUCXZYSKKWNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.CH4O/c1-5-9-7-6-8(2)10(9,3)4;1-2/h7-8H,5-6H2,1-4H3;2H,1H3.
What are the key properties of 1-ethyl-4,5,5-trimethylcyclopentene;methanol?
1-ethyl-4,5,5-trimethylcyclopentene;methanol has a molecular weight of 170.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,5-trimethylcyclopentene;methanol is sourced from PubChem (CID 145195735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).