methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate

C15H28O2 — CID 59909521

IUPACmethyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
SMILESCOC(=O)CCCCC1C(C)C(C)C(C)C1C
InChIInChI=1S/C15H28O2/c1-10-11(2)13(4)14(12(10)3)8-6-7-9-15(16)17-5/h10-14H,6-9H2,1-5H3
InChIKeyAJHFDCPSGKEGTO-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.89
Rot. Bonds5

About methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate

methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate (PubChem CID 59909521) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
PubChem CID59909521
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namemethyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
SMILESCOC(=O)CCCCC1C(C)C(C)C(C)C1C
InChIInChI=1S/C15H28O2/c1-10-11(2)13(4)14(12(10)3)8-6-7-9-15(16)17-5/h10-14H,6-9H2,1-5H3
InChIKeyAJHFDCPSGKEGTO-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
methyl 7-[(2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
CID 59071370
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl pentanedioate;hydrochloride
CID 175168861
actinium;methyl 7-[(2R,3S,5S)-2-ethyl-3,5-dihydroxycyclopentyl]heptanoate
CID 59071395
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate?
The IUPAC name of methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate (CID 59909521) is methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate.
What is the SMILES notation for methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate?
The canonical SMILES for methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate is COC(=O)CCCCC1C(C)C(C)C(C)C1C.
What is the InChIKey of methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate?
The InChIKey is AJHFDCPSGKEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10-11(2)13(4)14(12(10)3)8-6-7-9-15(16)17-5/h10-14H,6-9H2,1-5H3.
What are the key properties of methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate?
methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate has a molecular weight of 240.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate is sourced from PubChem (CID 59909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).