5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol

C11H18O — CID 54128721

IUPAC5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CCC1CC1(C)C
InChIInChI=1S/C11H18O/c1-5-11(4,12)7-6-9-8-10(9,2)3/h1,9,12H,6-8H2,2-4H3
InChIKeyNSUCSUWEOAGEEO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.20
Rot. Bonds3

About 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol

5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol (PubChem CID 54128721) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol
PubChem CID54128721
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CCC1CC1(C)C
InChIInChI=1S/C11H18O/c1-5-11(4,12)7-6-9-8-10(9,2)3/h1,9,12H,6-8H2,2-4H3
InChIKeyNSUCSUWEOAGEEO-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol?
The IUPAC name of 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol (CID 54128721) is 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol.
What is the SMILES notation for 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol?
The canonical SMILES for 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol is C#CC(C)(O)CCC1CC1(C)C.
What is the InChIKey of 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol?
The InChIKey is NSUCSUWEOAGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(4,12)7-6-9-8-10(9,2)3/h1,9,12H,6-8H2,2-4H3.
What are the key properties of 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol?
5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopropyl)-3-methylpent-1-yn-3-ol is sourced from PubChem (CID 54128721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).