methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate

C23H38O5 — CID 70596212

IUPACmethyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate
SMILESCCCCCC1(C=C[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)OCCO1
InChIInChI=1S/C23H38O5/c1-3-4-9-15-23(27-17-18-28-23)16-14-19-12-13-21(24)20(19)10-7-5-6-8-11-22(25)26-2/h14,16,19-20H,3-13,15,17-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyBHTQIEPWYATEOK-WOJBJXKFSA-N
MW394.55 g/mol
LogP4.97
Rot. Bonds13

About methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate

methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate (PubChem CID 70596212) has the molecular formula C23H38O5 and a molecular weight of 394.55 g/mol. Its IUPAC name is methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate
PubChem CID70596212
Molecular FormulaC23H38O5
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Namemethyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate
SMILESCCCCCC1(C=C[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)OCCO1
InChIInChI=1S/C23H38O5/c1-3-4-9-15-23(27-17-18-28-23)16-14-19-12-13-21(24)20(19)10-7-5-6-8-11-22(25)26-2/h14,16,19-20H,3-13,15,17-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyBHTQIEPWYATEOK-WOJBJXKFSA-N
XLogP4.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(1R,2R)-2-(4-hydroxy-4-methylocta-1,5-dienyl)-5-oxocyclopentyl]hexanoate
CID 57305704
methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
CID 12997158
methyl 7-[(1S,2R)-2-(1-hydroxyoctyl)-5-oxocyclopentyl]heptanoate
CID 70635296
methyl 7-[2-[(E)-3-hydroxy-6-methoxy-3-methylhex-1-enyl]-5-oxocyclopentyl]heptanoate
CID 21423427
methyl 3-hydroxy-2-[7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoylamino]propanoate
CID 3369543
methyl 8-[(2R,3R)-2-octyl-4-oxooxetan-3-yl]octanoate;methyl 8-[(2S,3S)-3-octyl-4-oxooxetan-2-yl]octanoate
CID 158069393
methyl 7-[(2S)-2-(4-hexylphenyl)-5-oxocyclopentyl]heptanoate
CID 129084205
butyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoate
CID 22797043
(3-oxo-2-pentylcyclopentyl) pentanoate
CID 91315520
9-[(1R)-2-[(E,3R)-3-(1-butylcyclobutyl)-3-hydroxyprop-1-enyl]-5-oxocyclopentyl]nonanoic acid
CID 90673488
trans-(2R,3R)-2-(7-dimethoxyphosphorylheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 22808740
7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]-N-[(4-methoxyphenyl)methyl]heptanamide
CID 3808302

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate (CID 70596212) is methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate is CCCCCC1(C=C[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)OCCO1.
What is the InChIKey of methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate?
The InChIKey is BHTQIEPWYATEOK-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H38O5/c1-3-4-9-15-23(27-17-18-28-23)16-14-19-12-13-21(24)20(19)10-7-5-6-8-11-22(25)26-2/h14,16,19-20H,3-13,15,17-18H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate?
methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate has a molecular weight of 394.55 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R,5R)-2-oxo-5-[2-(2-pentyl-1,3-dioxolan-2-yl)ethenyl]cyclopentyl]heptanoate is sourced from PubChem (CID 70596212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).