1-prop-2-ynylcyclobutan-1-ol

C7H10O — CID 22129000

IUPAC1-prop-2-ynylcyclobutan-1-ol
SMILESC#CCC1(O)CCC1
InChIInChI=1S/C7H10O/c1-2-4-7(8)5-3-6-7/h1,8H,3-6H2
InChIKeySGEZRFWQVYNBRJ-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.92
Rot. Bonds1

About 1-prop-2-ynylcyclobutan-1-ol

1-prop-2-ynylcyclobutan-1-ol (PubChem CID 22129000) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-prop-2-ynylcyclobutan-1-ol.

Molecular Properties

Compound Name1-prop-2-ynylcyclobutan-1-ol
PubChem CID22129000
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-prop-2-ynylcyclobutan-1-ol
SMILESC#CCC1(O)CCC1
InChIInChI=1S/C7H10O/c1-2-4-7(8)5-3-6-7/h1,8H,3-6H2
InChIKeySGEZRFWQVYNBRJ-UHFFFAOYSA-N
XLogP0.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.92
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 1-prop-2-ynylcyclobutan-1-ol?
The IUPAC name of 1-prop-2-ynylcyclobutan-1-ol (CID 22129000) is 1-prop-2-ynylcyclobutan-1-ol.
What is the SMILES notation for 1-prop-2-ynylcyclobutan-1-ol?
The canonical SMILES for 1-prop-2-ynylcyclobutan-1-ol is C#CCC1(O)CCC1.
What is the InChIKey of 1-prop-2-ynylcyclobutan-1-ol?
The InChIKey is SGEZRFWQVYNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-7(8)5-3-6-7/h1,8H,3-6H2.
What are the key properties of 1-prop-2-ynylcyclobutan-1-ol?
1-prop-2-ynylcyclobutan-1-ol has a molecular weight of 110.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylcyclobutan-1-ol is sourced from PubChem (CID 22129000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).