ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate

C19H34O7 — CID 25135926

IUPACethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate
SMILESCCCC[C@@](O)(CCC(O)C(=O)CCC(=O)OCC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C19H34O7/c1-5-7-11-19(23,16-13-25-18(3,4)26-16)12-10-15(21)14(20)8-9-17(22)24-6-2/h15-16,21,23H,5-13H2,1-4H3/t15?,16-,19+/m0/s1
InChIKeyJYASIYIQTZWSKB-UDGGGLCFSA-N
MW374.47 g/mol
LogP2.11
Rot. Bonds12

About ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate

ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate (PubChem CID 25135926) has the molecular formula C19H34O7 and a molecular weight of 374.47 g/mol. Its IUPAC name is ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate.

Molecular Properties

Compound Nameethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate
PubChem CID25135926
Molecular FormulaC19H34O7
Molecular Weight374.47 g/mol
Exact Mass374.23
IUPAC Nameethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate
SMILESCCCC[C@@](O)(CCC(O)C(=O)CCC(=O)OCC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C19H34O7/c1-5-7-11-19(23,16-13-25-18(3,4)26-16)12-10-15(21)14(20)8-9-17(22)24-6-2/h15-16,21,23H,5-13H2,1-4H3/t15?,16-,19+/m0/s1
InChIKeyJYASIYIQTZWSKB-UDGGGLCFSA-N
XLogP2.11
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate with MolForge

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Related Compounds

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(3S,5R)-5-[(8R,11S)-8,11-dihydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate?
The IUPAC name of ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate (CID 25135926) is ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate.
What is the SMILES notation for ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate?
The canonical SMILES for ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate is CCCC[C@@](O)(CCC(O)C(=O)CCC(=O)OCC)[C@@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate?
The InChIKey is JYASIYIQTZWSKB-UDGGGLCFSA-N. The full InChI is InChI=1S/C19H34O7/c1-5-7-11-19(23,16-13-25-18(3,4)26-16)12-10-15(21)14(20)8-9-17(22)24-6-2/h15-16,21,23H,5-13H2,1-4H3/t15?,16-,19+/m0/s1.
What are the key properties of ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate?
ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate has a molecular weight of 374.47 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8R)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,8-dihydroxy-4-oxododecanoate is sourced from PubChem (CID 25135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).