3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol

C14H26O2 — CID 67814548

IUPAC3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol
SMILESCC1=CCC(CCOC(C)C(C)O)C1(C)C
InChIInChI=1S/C14H26O2/c1-10-6-7-13(14(10,4)5)8-9-16-12(3)11(2)15/h6,11-13,15H,7-9H2,1-5H3
InChIKeyOHGXUQSNWATXFP-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.15
Rot. Bonds5

About 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol

3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol (PubChem CID 67814548) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol
PubChem CID67814548
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol
SMILESCC1=CCC(CCOC(C)C(C)O)C1(C)C
InChIInChI=1S/C14H26O2/c1-10-6-7-13(14(10,4)5)8-9-16-12(3)11(2)15/h6,11-13,15H,7-9H2,1-5H3
InChIKeyOHGXUQSNWATXFP-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol (CID 67814548) is 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol is CC1=CCC(CCOC(C)C(C)O)C1(C)C.
What is the InChIKey of 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol?
The InChIKey is OHGXUQSNWATXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10-6-7-13(14(10,4)5)8-9-16-12(3)11(2)15/h6,11-13,15H,7-9H2,1-5H3.
What are the key properties of 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol?
3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethoxy]butan-2-ol is sourced from PubChem (CID 67814548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).