dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane

C17H36O8 — CID 159144629

IUPACdimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane
SMILESC.CCOC(CC(=O)OC)CC(=O)OC.CCOC(CCO)CCO
InChIInChI=1S/C9H16O5.C7H16O3.CH4/c1-4-14-7(5-8(10)12-2)6-9(11)13-3;1-2-10-7(3-5-8)4-6-9;/h7H,4-6H2,1-3H3;7-9H,2-6H2,1H3;1H4
InChIKeyKINHVMDIMPETDG-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.31
Rot. Bonds12

About dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane

dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane (PubChem CID 159144629) has the molecular formula C17H36O8 and a molecular weight of 368.47 g/mol. Its IUPAC name is dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane.

Molecular Properties

Compound Namedimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane
PubChem CID159144629
Molecular FormulaC17H36O8
Molecular Weight368.47 g/mol
Exact Mass368.24
IUPAC Namedimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane
SMILESC.CCOC(CC(=O)OC)CC(=O)OC.CCOC(CCO)CCO
InChIInChI=1S/C9H16O5.C7H16O3.CH4/c1-4-14-7(5-8(10)12-2)6-9(11)13-3;1-2-10-7(3-5-8)4-6-9;/h7H,4-6H2,1-3H3;7-9H,2-6H2,1H3;1H4
InChIKeyKINHVMDIMPETDG-UHFFFAOYSA-N
XLogP1.31
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 3-pentoxypentanedioate
CID 87950297
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
3-ethoxyheptane-1,7-diol
CID 57097049
5-methoxy-5-oxo-3-pentoxypentanoic acid
CID 87950220
methyl 3-(1-hydroxypentan-3-ylamino)butanoate
CID 115976781
ethyl 5-bromo-3-ethoxypentanoate
CID 54485200
methyl 3-(2-oxoethoxy)pentanoate
CID 150906420
methyl (4R)-4-ethyl-6-hydroxyhexanoate
CID 118890197
methyl 3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-4-enoate
CID 163061148
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
4-ethoxyoctan-1-ol
CID 21254369
methyl 3-methoxy-5-oxohexanoate
CID 166967447

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane?
The IUPAC name of dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane (CID 159144629) is dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane.
What is the SMILES notation for dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane?
The canonical SMILES for dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane is C.CCOC(CC(=O)OC)CC(=O)OC.CCOC(CCO)CCO.
What is the InChIKey of dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane?
The InChIKey is KINHVMDIMPETDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5.C7H16O3.CH4/c1-4-14-7(5-8(10)12-2)6-9(11)13-3;1-2-10-7(3-5-8)4-6-9;/h7H,4-6H2,1-3H3;7-9H,2-6H2,1H3;1H4.
What are the key properties of dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane?
dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane has a molecular weight of 368.47 g/mol, XLogP of 1.31, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-ethoxypentanedioate;3-ethoxypentane-1,5-diol;methane is sourced from PubChem (CID 159144629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).