4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one

C10H18O3 — CID 79417690

IUPAC4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one
SMILESCOCC(=O)CCC1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-13-8-9(11)4-7-10(12)5-2-3-6-10/h12H,2-8H2,1H3
InChIKeySQIJZTGCOUMAMI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.29
Rot. Bonds5

About 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one

4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one (PubChem CID 79417690) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one.

Molecular Properties

Compound Name4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one
PubChem CID79417690
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one
SMILESCOCC(=O)CCC1(O)CCCC1
InChIInChI=1S/C10H18O3/c1-13-8-9(11)4-7-10(12)5-2-3-6-10/h12H,2-8H2,1H3
InChIKeySQIJZTGCOUMAMI-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

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Related Compounds

3-(1-hydroxycyclobutyl)propanoic acid
CID 66323196
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
4-hydroxy-1-(1-hydroxycyclohexyl)-4-methylpentan-3-one
CID 82254286
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
1-methoxyheptane-2,5-dione
CID 12648673
2-methoxy-1-(1-methoxycyclopentyl)ethanone
CID 104610256
1-(1-aminocyclopentyl)-2-methoxyethanone
CID 116558746
3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 107507645
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356
6-methoxy-5-oxohexanoic acid
CID 46897878

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one?
The IUPAC name of 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one (CID 79417690) is 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one.
What is the SMILES notation for 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one?
The canonical SMILES for 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one is COCC(=O)CCC1(O)CCCC1.
What is the InChIKey of 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one?
The InChIKey is SQIJZTGCOUMAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-8-9(11)4-7-10(12)5-2-3-6-10/h12H,2-8H2,1H3.
What are the key properties of 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one?
4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one 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 4-(1-hydroxycyclopentyl)-1-methoxybutan-2-one is sourced from PubChem (CID 79417690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).