1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol

C12H18O2 — CID 52937089

IUPAC1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol
SMILESC#CC(O)C1(COCC=C)CCCC1
InChIInChI=1S/C12H18O2/c1-3-9-14-10-12(11(13)4-2)7-5-6-8-12/h2-3,11,13H,1,5-10H2
InChIKeyIXVPXNKJXLGIBL-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.74
Rot. Bonds5

About 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol

1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol (PubChem CID 52937089) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol
PubChem CID52937089
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol
SMILESC#CC(O)C1(COCC=C)CCCC1
InChIInChI=1S/C12H18O2/c1-3-9-14-10-12(11(13)4-2)7-5-6-8-12/h2-3,11,13H,1,5-10H2
InChIKeyIXVPXNKJXLGIBL-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol?
The IUPAC name of 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol (CID 52937089) is 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol is C#CC(O)C1(COCC=C)CCCC1.
What is the InChIKey of 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol?
The InChIKey is IXVPXNKJXLGIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9-14-10-12(11(13)4-2)7-5-6-8-12/h2-3,11,13H,1,5-10H2.
What are the key properties of 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol?
1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol has a molecular weight of 194.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(prop-2-enoxymethyl)cyclopentyl]prop-2-yn-1-ol is sourced from PubChem (CID 52937089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).