methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate

C13H22O4 — CID 134979052

IUPACmethyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
SMILESCOC(=O)CCCCCC1C(O)CCC1C=O
InChIInChI=1S/C13H22O4/c1-17-13(16)6-4-2-3-5-11-10(9-14)7-8-12(11)15/h9-12,15H,2-8H2,1H3
InChIKeyZQCLNESXMDBDNX-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.70
Rot. Bonds7

About methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate

methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate (PubChem CID 134979052) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate.

Molecular Properties

Compound Namemethyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
PubChem CID134979052
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
SMILESCOC(=O)CCCCCC1C(O)CCC1C=O
InChIInChI=1S/C13H22O4/c1-17-13(16)6-4-2-3-5-11-10(9-14)7-8-12(11)15/h9-12,15H,2-8H2,1H3
InChIKeyZQCLNESXMDBDNX-UHFFFAOYSA-N
XLogP1.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

13,14-dihydro-15-keto-PGE1
CID 165284
Rosaprostol
CID 6917723
6,15-diketo-13,14-dihydroprostaglandin F1alpha
CID 174013
Rosal
CID 168322438
Methyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate
CID 3766168
Sodium (3-hydroxy-2-pentylcyclopentyl)acetate
CID 71506362
11alpha-Hydroxy-9,15-dioxoprostan-1-oate
CID 40565475
7-[(1R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoctyl]-3-oxocyclopentyl]heptanoic acid
CID 44378766
Gentiolutelin
CID 102320024
7-(2-Hexyl-5-hydroxycyclopentyl)heptanoic acid
CID 68764
13,14-dihydro-15-keto-tetranor Prostaglandin E2
CID 71684706
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate?
The IUPAC name of methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate (CID 134979052) is methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate.
What is the SMILES notation for methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate?
The canonical SMILES for methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate is COC(=O)CCCCCC1C(O)CCC1C=O.
What is the InChIKey of methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate?
The InChIKey is ZQCLNESXMDBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-17-13(16)6-4-2-3-5-11-10(9-14)7-8-12(11)15/h9-12,15H,2-8H2,1H3.
What are the key properties of methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate?
methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate has a molecular weight of 242.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate is sourced from PubChem (CID 134979052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).