1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol

C10H16O2 — CID 706954

IUPAC1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol
SMILESCC(C)(O)C#CC1(O)CCCC1
InChIInChI=1S/C10H16O2/c1-9(2,11)7-8-10(12)5-3-4-6-10/h11-12H,3-6H2,1-2H3
InChIKeyHTZKJXWNKVXQDU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.07
Rot. Bonds

About 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol

1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol (PubChem CID 706954) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol
PubChem CID706954
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol
SMILESCC(C)(O)C#CC1(O)CCCC1
InChIInChI=1S/C10H16O2/c1-9(2,11)7-8-10(12)5-3-4-6-10/h11-12H,3-6H2,1-2H3
InChIKeyHTZKJXWNKVXQDU-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol?
The IUPAC name of 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol (CID 706954) is 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol is CC(C)(O)C#CC1(O)CCCC1.
What is the InChIKey of 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol?
The InChIKey is HTZKJXWNKVXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,11)7-8-10(12)5-3-4-6-10/h11-12H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol?
1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbut-1-ynyl)cyclopentan-1-ol is sourced from PubChem (CID 706954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).