2-ethynylcyclopentan-1-ol

C7H10O — CID 4162420

IUPAC2-ethynylcyclopentan-1-ol
SMILESC#CC1CCCC1O
InChIInChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2
InChIKeyJRZIIUSKYKGRDH-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.78
Rot. Bonds

About 2-ethynylcyclopentan-1-ol

2-ethynylcyclopentan-1-ol (PubChem CID 4162420) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethynylcyclopentan-1-ol.

Molecular Properties

Compound Name2-ethynylcyclopentan-1-ol
PubChem CID4162420
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-ethynylcyclopentan-1-ol
SMILESC#CC1CCCC1O
InChIInChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2
InChIKeyJRZIIUSKYKGRDH-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.78
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 2-ethynylcyclopentan-1-ol?
The IUPAC name of 2-ethynylcyclopentan-1-ol (CID 4162420) is 2-ethynylcyclopentan-1-ol.
What is the SMILES notation for 2-ethynylcyclopentan-1-ol?
The canonical SMILES for 2-ethynylcyclopentan-1-ol is C#CC1CCCC1O.
What is the InChIKey of 2-ethynylcyclopentan-1-ol?
The InChIKey is JRZIIUSKYKGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2.
What are the key properties of 2-ethynylcyclopentan-1-ol?
2-ethynylcyclopentan-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynylcyclopentan-1-ol is sourced from PubChem (CID 4162420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).