ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate

C10H18O4 — CID 14443808

IUPACethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)C1(CC)OCCO1
InChIInChI=1S/C10H18O4/c1-4-10(13-6-7-14-10)8(3)9(11)12-5-2/h8H,4-7H2,1-3H3
InChIKeyBUKVYUATATWGSA-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate

ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 14443808) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate
PubChem CID14443808
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)C1(CC)OCCO1
InChIInChI=1S/C10H18O4/c1-4-10(13-6-7-14-10)8(3)9(11)12-5-2/h8H,4-7H2,1-3H3
InChIKeyBUKVYUATATWGSA-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-[1,3]dioxolan-2-yl)propionic acid ethyl ester
CID 12688986
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 12948748
Ethyl (2-propyl-1,3-dioxolan-2-yl)acetate
CID 14505110
Ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
CID 14435894
2-(2-Ethyl-[1,3]dioxolan-2-yl)fluoroacetic acid methyl ester
CID 86637054
Ethyl 2-{1-[(ethoxycarbonyl)oxy]ethyl}pentanoate
CID 243791
Ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 14427563
Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate
CID 227809
methyl (2S,3S)-3-acetyloxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoate
CID 102452517
methyl (2S,3S,5R)-5-methoxy-2,5-dimethyloxolane-3-carboxylate
CID 134900732
Methyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
CID 135011766
5-Ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
CID 162400111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate (CID 14443808) is ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate is CCOC(=O)C(C)C1(CC)OCCO1.
What is the InChIKey of ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is BUKVYUATATWGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-10(13-6-7-14-10)8(3)9(11)12-5-2/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate?
ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 14443808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).