methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate

C14H26O3 — CID 121340011

IUPACmethyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate
SMILESCOCCC(CC(=O)OC)[C@H]1CC[C@@H](C)[C@H]1C
InChIInChI=1S/C14H26O3/c1-10-5-6-13(11(10)2)12(7-8-16-3)9-14(15)17-4/h10-13H,5-9H2,1-4H3/t10-,11-,12?,13+/m1/s1
InChIKeyAMMFPOSQDXTSGB-RFSNJIIUSA-N
MW242.36 g/mol
LogP2.88
Rot. Bonds6

About methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate

methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate (PubChem CID 121340011) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate.

Molecular Properties

Compound Namemethyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate
PubChem CID121340011
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate
SMILESCOCCC(CC(=O)OC)[C@H]1CC[C@@H](C)[C@H]1C
InChIInChI=1S/C14H26O3/c1-10-5-6-13(11(10)2)12(7-8-16-3)9-14(15)17-4/h10-13H,5-9H2,1-4H3/t10-,11-,12?,13+/m1/s1
InChIKeyAMMFPOSQDXTSGB-RFSNJIIUSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate?
The IUPAC name of methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate (CID 121340011) is methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate.
What is the SMILES notation for methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate?
The canonical SMILES for methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate is COCCC(CC(=O)OC)[C@H]1CC[C@@H](C)[C@H]1C.
What is the InChIKey of methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate?
The InChIKey is AMMFPOSQDXTSGB-RFSNJIIUSA-N. The full InChI is InChI=1S/C14H26O3/c1-10-5-6-13(11(10)2)12(7-8-16-3)9-14(15)17-4/h10-13H,5-9H2,1-4H3/t10-,11-,12?,13+/m1/s1.
What are the key properties of methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate?
methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate has a molecular weight of 242.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]-5-methoxypentanoate is sourced from PubChem (CID 121340011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).