ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

C10H18O4 — CID 11788909

IUPACethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCCOC(=O)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyHCMXWEORDAJDFR-QMMMGPOBSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds4

About ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate

ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (PubChem CID 11788909) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
PubChem CID11788909
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
SMILESCCOC(=O)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyHCMXWEORDAJDFR-QMMMGPOBSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 11171261
1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 243715
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
(5-Oxooxolan-2-yl)methyl acetate
CID 13462618
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458
(4R,5R)-4-ethoxy-5-(ethoxymethyl)oxolan-2-one
CID 10631455
Ethyl 4-(1,3-dioxolan-2-yl)butanoate
CID 13027283
(4S,5R)-4-ethoxy-5-(ethoxymethyl)oxolan-2-one
CID 101002963
[(2S)-5-oxooxolan-2-yl]methyl acetate
CID 13462620

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The IUPAC name of ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate (CID 11788909) is ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The canonical SMILES for ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is CCOC(=O)CC[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
The InChIKey is HCMXWEORDAJDFR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate?
ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate is sourced from PubChem (CID 11788909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).