ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate

C15H28O3 — CID 141101003

IUPACethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
SMILESCCCCCCC1(C(=O)OCC)CCCC1OC
InChIInChI=1S/C15H28O3/c1-4-6-7-8-11-15(14(16)18-5-2)12-9-10-13(15)17-3/h13H,4-12H2,1-3H3
InChIKeyBZROTBUVXGYDCI-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.71
Rot. Bonds8

About ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate

ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate (PubChem CID 141101003) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
PubChem CID141101003
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
SMILESCCCCCCC1(C(=O)OCC)CCCC1OC
InChIInChI=1S/C15H28O3/c1-4-6-7-8-11-15(14(16)18-5-2)12-9-10-13(15)17-3/h13H,4-12H2,1-3H3
InChIKeyBZROTBUVXGYDCI-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2R)-2-ethoxycarbonyl-2-tridecylcyclopentyl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 71582868
[(1R,2R)-2-ethoxycarbonyl-2-tetradecylcyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 71680562
2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
CID 141100879
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
CID 10966254
diethyl 1-propylcyclohexane-1,2-dicarboxylate
CID 146562592
ethyl 4-methoxy-2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 106874628
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
ethyl 2-acetyloxy-1-(2-phenylethyl)cyclopentane-1-carboxylate
CID 69201738
1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 67821374

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate (CID 141101003) is ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate is CCCCCCC1(C(=O)OCC)CCCC1OC.
What is the InChIKey of ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate?
The InChIKey is BZROTBUVXGYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-6-7-8-11-15(14(16)18-5-2)12-9-10-13(15)17-3/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate?
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141101003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).