ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate

C13H24O4 — CID 134998976

IUPACethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
SMILESCCOC(=O)CC1(OC)CCCC(C(C)C)O1
InChIInChI=1S/C13H24O4/c1-5-16-12(14)9-13(15-4)8-6-7-11(17-13)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyXJSBNDJFYNNVMM-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.51
Rot. Bonds5

About ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate

ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate (PubChem CID 134998976) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
PubChem CID134998976
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate
SMILESCCOC(=O)CC1(OC)CCCC(C(C)C)O1
InChIInChI=1S/C13H24O4/c1-5-16-12(14)9-13(15-4)8-6-7-11(17-13)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyXJSBNDJFYNNVMM-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

alpha-Carboxy-delta-decalactone
CID 131751112
alpha-Carboxy-delta-nonalactone
CID 131751116
(3S,4S)-3-hexyl-4-[(2R)-2-(oxan-2-yloxy)tridecyl]oxetan-2-one
CID 45358518
5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 356703
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
methyl 2-methyl-2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 13858406
Methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 14735319
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017
7-Methoxy-13-methoxymethoxy-9-methyl-5-propyl-4,15-dioxa-bicyclo[9.3.1]pentadecan-3-one
CID 46844368
methyl 2-[(2S,6R,9R,10S)-9-ethyl-10-hydroxy-1,7-dioxaspiro[5.5]undecan-2-yl]acetate
CID 71504305
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl (5R,9S)-1,6-dioxaspiro[4.5]decane-9-carboxylate
CID 101378579

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate (CID 134998976) is ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate is CCOC(=O)CC1(OC)CCCC(C(C)C)O1.
What is the InChIKey of ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate?
The InChIKey is XJSBNDJFYNNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-16-12(14)9-13(15-4)8-6-7-11(17-13)10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate?
ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate has a molecular weight of 244.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-6-propan-2-yloxan-2-yl)acetate is sourced from PubChem (CID 134998976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).