ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate

C14H24O6 — CID 129054211

IUPACethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
SMILESCCOC(=O)CCC[C@H](OC(C)=O)C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-5-17-13(16)8-6-7-11(19-10(2)15)12-9-18-14(3,4)20-12/h11-12H,5-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyVHTWAOJQWFFVBN-PXYINDEMSA-N
MW288.34 g/mol
LogP1.80
Rot. Bonds7

About ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate

ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate (PubChem CID 129054211) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
PubChem CID129054211
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Nameethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate
SMILESCCOC(=O)CCC[C@H](OC(C)=O)C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-5-17-13(16)8-6-7-11(19-10(2)15)12-9-18-14(3,4)20-12/h11-12H,5-9H2,1-4H3/t11-,12?/m0/s1
InChIKeyVHTWAOJQWFFVBN-PXYINDEMSA-N
XLogP1.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691682
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
ethyl 3-[(4R,5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 15596056
ethyl 5-acetyloxyhexanoate
CID 529299
bis[2-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] carbonate
CID 176887438
ethyl (5R)-5-acetyloxyundecanoate
CID 11173329
ethyl 6-acetyloxy-5-methylheptanoate
CID 91156988
ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
CID 58212173
ethyl (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477298
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11186180
ethyl (2S,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-methylpropanoate
CID 162368058

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate?
The IUPAC name of ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate (CID 129054211) is ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate.
What is the SMILES notation for ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate?
The canonical SMILES for ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate is CCOC(=O)CCC[C@H](OC(C)=O)C1COC(C)(C)O1.
What is the InChIKey of ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate?
The InChIKey is VHTWAOJQWFFVBN-PXYINDEMSA-N. The full InChI is InChI=1S/C14H24O6/c1-5-17-13(16)8-6-7-11(19-10(2)15)12-9-18-14(3,4)20-12/h11-12H,5-9H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate?
ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate has a molecular weight of 288.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-5-acetyloxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentanoate is sourced from PubChem (CID 129054211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).