ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate

C18H34O4 — CID 10470914

IUPACethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](CCCCC(C)(C)OCOC)C1
InChIInChI=1S/C18H34O4/c1-5-21-17(19)13-16-10-9-15(12-16)8-6-7-11-18(2,3)22-14-20-4/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyDMKBOBDYFSBJBI-JKSUJKDBSA-N
MW314.47 g/mol
LogP4.32
Rot. Bonds11

About ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate

ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate (PubChem CID 10470914) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate
PubChem CID10470914
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Nameethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CC[C@H](CCCCC(C)(C)OCOC)C1
InChIInChI=1S/C18H34O4/c1-5-21-17(19)13-16-10-9-15(12-16)8-6-7-11-18(2,3)22-14-20-4/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyDMKBOBDYFSBJBI-JKSUJKDBSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(2-cyclopentylethyl)decanoate
CID 156017901
Methyl 9,12-bis(dimethoxymethyl)stearate
CID 129726992
Ethyl 7-(2,2-diethoxymethyl-5-oxocyclopentyl) heptanoate
CID 129743169
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
CID 11696129
butyl 7-[(1R,2S)-2-[3-[(2-methylpropan-2-yl)oxy]octyl]-5-oxocyclopentyl]heptanoate
CID 18594645
propan-2-yl 7-[(1R,2S)-2-[3-[(2-methylpropan-2-yl)oxy]octyl]-5-oxocyclopentyl]heptanoate
CID 18594683
methyl 7-[(1R,2S)-2-[3-[(2-methylpropan-2-yl)oxy]octyl]-5-oxocyclopentyl]heptanoate
CID 18594689
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
Ethoxymethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661473
1-Ethoxyethyl 3-propan-2-ylcyclopentane-1-carboxylate
CID 20697963
1-Ethoxypropyl 3-propan-2-ylcyclopentane-1-carboxylate
CID 20697965
1-Ethoxyethyl 3,5-diethyl-2-methylcyclopentane-1-carboxylate
CID 21351440

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate (CID 10470914) is ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate is CCOC(=O)C[C@@H]1CC[C@H](CCCCC(C)(C)OCOC)C1.
What is the InChIKey of ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate?
The InChIKey is DMKBOBDYFSBJBI-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H34O4/c1-5-21-17(19)13-16-10-9-15(12-16)8-6-7-11-18(2,3)22-14-20-4/h15-16H,5-14H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate?
ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate has a molecular weight of 314.47 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,3S)-3-[5-(methoxymethoxy)-5-methylhexyl]cyclopentyl]acetate is sourced from PubChem (CID 10470914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).