1-(1-hydroxycyclopentyl)-2-propoxyethanone

C10H18O3 — CID 103447635

IUPAC1-(1-hydroxycyclopentyl)-2-propoxyethanone
SMILESCCCOCC(=O)C1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-2-7-13-8-9(11)10(12)5-3-4-6-10/h12H,2-8H2,1H3
InChIKeyMYEYQOUUDNLCHX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.29
Rot. Bonds5

About 1-(1-hydroxycyclopentyl)-2-propoxyethanone

1-(1-hydroxycyclopentyl)-2-propoxyethanone (PubChem CID 103447635) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-hydroxycyclopentyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclopentyl)-2-propoxyethanone
PubChem CID103447635
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(1-hydroxycyclopentyl)-2-propoxyethanone
SMILESCCCOCC(=O)C1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-2-7-13-8-9(11)10(12)5-3-4-6-10/h12H,2-8H2,1H3
InChIKeyMYEYQOUUDNLCHX-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylpiperidin-3-yl)-2-propoxyethanone
CID 116569485
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570636
1-(3-propan-2-ylpyrrolidin-3-yl)-2-propoxyethanone
CID 106982213
1-(4-methoxyoxan-4-yl)-2-propoxyethanone
CID 116748657
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 103627584
2-bromo-1-(1-hydroxycyclohexyl)ethanone
CID 71436239
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
1-(4,4-dimethylcyclohexyl)-2-propoxyethanone
CID 79567432
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
1-(1-aminocyclopentyl)-2-ethoxyethanone
CID 116558697

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclopentyl)-2-propoxyethanone?
The IUPAC name of 1-(1-hydroxycyclopentyl)-2-propoxyethanone (CID 103447635) is 1-(1-hydroxycyclopentyl)-2-propoxyethanone.
What is the SMILES notation for 1-(1-hydroxycyclopentyl)-2-propoxyethanone?
The canonical SMILES for 1-(1-hydroxycyclopentyl)-2-propoxyethanone is CCCOCC(=O)C1(O)CCCC1.
What is the InChIKey of 1-(1-hydroxycyclopentyl)-2-propoxyethanone?
The InChIKey is MYEYQOUUDNLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-7-13-8-9(11)10(12)5-3-4-6-10/h12H,2-8H2,1H3.
What are the key properties of 1-(1-hydroxycyclopentyl)-2-propoxyethanone?
1-(1-hydroxycyclopentyl)-2-propoxyethanone has a molecular weight of 186.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclopentyl)-2-propoxyethanone is sourced from PubChem (CID 103447635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).