methyl 3-(4-hydroxycyclopenten-1-yl)butanoate

C10H16O3 — CID 123207255

IUPACmethyl 3-(4-hydroxycyclopenten-1-yl)butanoate
SMILESCOC(=O)CC(C)C1=CCC(O)C1
InChIInChI=1S/C10H16O3/c1-7(5-10(12)13-2)8-3-4-9(11)6-8/h3,7,9,11H,4-6H2,1-2H3
InChIKeyQTXJEQWWVSSKBI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

About methyl 3-(4-hydroxycyclopenten-1-yl)butanoate

methyl 3-(4-hydroxycyclopenten-1-yl)butanoate (PubChem CID 123207255) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 3-(4-hydroxycyclopenten-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxycyclopenten-1-yl)butanoate
PubChem CID123207255
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 3-(4-hydroxycyclopenten-1-yl)butanoate
SMILESCOC(=O)CC(C)C1=CCC(O)C1
InChIInChI=1S/C10H16O3/c1-7(5-10(12)13-2)8-3-4-9(11)6-8/h3,7,9,11H,4-6H2,1-2H3
InChIKeyQTXJEQWWVSSKBI-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Octyldodecyl Ricinoleate
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Hydroxypelenolide
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(3R,3aR,7S,8aR)-6-(3-hydroxybutyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 122182541
3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide
CID 10846778
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
(3R,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25201562
(3S,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25245389
8beta-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
CID 90657346
8alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
CID 135397912
(3R,3aR,5E,9E,11aS)-3,6,10-Trimethyl-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
CID 91694425

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxycyclopenten-1-yl)butanoate?
The IUPAC name of methyl 3-(4-hydroxycyclopenten-1-yl)butanoate (CID 123207255) is methyl 3-(4-hydroxycyclopenten-1-yl)butanoate.
What is the SMILES notation for methyl 3-(4-hydroxycyclopenten-1-yl)butanoate?
The canonical SMILES for methyl 3-(4-hydroxycyclopenten-1-yl)butanoate is COC(=O)CC(C)C1=CCC(O)C1.
What is the InChIKey of methyl 3-(4-hydroxycyclopenten-1-yl)butanoate?
The InChIKey is QTXJEQWWVSSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(5-10(12)13-2)8-3-4-9(11)6-8/h3,7,9,11H,4-6H2,1-2H3.
What are the key properties of methyl 3-(4-hydroxycyclopenten-1-yl)butanoate?
methyl 3-(4-hydroxycyclopenten-1-yl)butanoate has a molecular weight of 184.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxycyclopenten-1-yl)butanoate is sourced from PubChem (CID 123207255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).