ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate

C18H34O5 — CID 122517412

IUPACethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate
SMILESCCOC(=O)OC(CC)C(CC(C)C)(CC(C)C)C(=O)OCC
InChIInChI=1S/C18H34O5/c1-8-15(23-17(20)22-10-3)18(11-13(4)5,12-14(6)7)16(19)21-9-2/h13-15H,8-12H2,1-7H3
InChIKeyLVDYJEJSWUBVLC-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.58
Rot. Bonds10

About ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate

ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate (PubChem CID 122517412) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate
PubChem CID122517412
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Nameethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate
SMILESCCOC(=O)OC(CC)C(CC(C)C)(CC(C)C)C(=O)OCC
InChIInChI=1S/C18H34O5/c1-8-15(23-17(20)22-10-3)18(11-13(4)5,12-14(6)7)16(19)21-9-2/h13-15H,8-12H2,1-7H3
InChIKeyLVDYJEJSWUBVLC-UHFFFAOYSA-N
XLogP4.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)heptanoate
CID 122517299
ethyl 3-ethoxycarbonyloxy-2-ethyl-5-methyl-2-(2-methylpropyl)hexanoate
CID 122517219
ethyl 3-ethoxycarbonyloxy-2-(2-methylpropyl)-2-propylhexanoate
CID 122517265
ethyl 3-ethoxycarbonyloxy-2,2-dimethylhexanoate
CID 122517339
3,3-dichlorobutan-2-yl ethyl carbonate
CID 71338645
ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
CID 122517263
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
CID 89402327
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
diethyl 2-(2-methylpropyl)-2-pentylpropanedioate
CID 103972771
ethyl 1-fluoroethyl carbonate
CID 11491942
diethyl 3,3-bis(2-methylpropyl)pentanedioate
CID 18618080

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate?
The IUPAC name of ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate (CID 122517412) is ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate.
What is the SMILES notation for ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate?
The canonical SMILES for ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate is CCOC(=O)OC(CC)C(CC(C)C)(CC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate?
The InChIKey is LVDYJEJSWUBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-8-15(23-17(20)22-10-3)18(11-13(4)5,12-14(6)7)16(19)21-9-2/h13-15H,8-12H2,1-7H3.
What are the key properties of ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate?
ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate has a molecular weight of 330.47 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate is sourced from PubChem (CID 122517412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).