methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate

C15H28O4 — CID 59071370

IUPACmethyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
SMILESCC[C@@H]1C(CCCCCCC(=O)OC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H28O4/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h11-14,16-17H,3-10H2,1-2H3/t11-,12?,13-,14+/m1/s1
InChIKeyPEXFUIVTMNSYSU-RLAWYHOSSA-N
MW272.38 g/mol
LogP2.27
Rot. Bonds8

About methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate

methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate (PubChem CID 59071370) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
PubChem CID59071370
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namemethyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
SMILESCC[C@@H]1C(CCCCCCC(=O)OC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H28O4/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h11-14,16-17H,3-10H2,1-2H3/t11-,12?,13-,14+/m1/s1
InChIKeyPEXFUIVTMNSYSU-RLAWYHOSSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate with MolForge

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Related Compounds

actinium;methyl 7-[(2R,3S,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
CID 59071395
methyl 7-[(1R,2R,3R,5S)-2-(7-chloroheptanoyl)-3,5-dihydroxycyclopentyl]heptanoate
CID 57314299
methyl 11-(2-propylcyclopropyl)undecanoate
CID 11414874
methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
ethyl 7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]heptanoate
CID 14772965
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
CID 59909521
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
methyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-4-thiophen-2-ylsulfanylbutyl)cyclopentyl]heptanoate
CID 10646311

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate (CID 59071370) is methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate is CC[C@@H]1C(CCCCCCC(=O)OC)[C@@H](O)C[C@H]1O.
What is the InChIKey of methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate?
The InChIKey is PEXFUIVTMNSYSU-RLAWYHOSSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h11-14,16-17H,3-10H2,1-2H3/t11-,12?,13-,14+/m1/s1.
What are the key properties of methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate?
methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate has a molecular weight of 272.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate is sourced from PubChem (CID 59071370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).