3-(1-hydroxycyclopentyl)prop-2-ynyl acetate

C10H14O3 — CID 102086962

IUPAC3-(1-hydroxycyclopentyl)prop-2-ynyl acetate
SMILESCC(=O)OCC#CC1(O)CCCC1
InChIInChI=1S/C10H14O3/c1-9(11)13-8-4-7-10(12)5-2-3-6-10/h12H,2-3,5-6,8H2,1H3
InChIKeyFUIGCMPUBIVSQQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.86
Rot. Bonds1

About 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate

3-(1-hydroxycyclopentyl)prop-2-ynyl acetate (PubChem CID 102086962) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate.

Molecular Properties

Compound Name3-(1-hydroxycyclopentyl)prop-2-ynyl acetate
PubChem CID102086962
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(1-hydroxycyclopentyl)prop-2-ynyl acetate
SMILESCC(=O)OCC#CC1(O)CCCC1
InChIInChI=1S/C10H14O3/c1-9(11)13-8-4-7-10(12)5-2-3-6-10/h12H,2-3,5-6,8H2,1H3
InChIKeyFUIGCMPUBIVSQQ-UHFFFAOYSA-N
XLogP0.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate?
The IUPAC name of 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate (CID 102086962) is 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate.
What is the SMILES notation for 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate?
The canonical SMILES for 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate is CC(=O)OCC#CC1(O)CCCC1.
What is the InChIKey of 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate?
The InChIKey is FUIGCMPUBIVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(11)13-8-4-7-10(12)5-2-3-6-10/h12H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate?
3-(1-hydroxycyclopentyl)prop-2-ynyl acetate has a molecular weight of 182.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentyl)prop-2-ynyl acetate is sourced from PubChem (CID 102086962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).