(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol

C18H30O6 — CID 69472559

IUPAC(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol
SMILESOC1C2(CCCCC2)[C@]1(O)[C@@H](O)[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H30O6/c19-13(12-11-23-17(24-12)9-5-2-6-10-17)14(20)18(22)15(21)16(18)7-3-1-4-8-16/h12-15,19-22H,1-11H2/t12-,13-,14+,15?,18+/m1/s1
InChIKeySRHZZVJGCCHMPN-AYFMFYLFSA-N
MW342.43 g/mol
LogP0.84
Rot. Bonds3

About (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol

(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol (PubChem CID 69472559) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol
PubChem CID69472559
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol
SMILESOC1C2(CCCCC2)[C@]1(O)[C@@H](O)[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H30O6/c19-13(12-11-23-17(24-12)9-5-2-6-10-17)14(20)18(22)15(21)16(18)7-3-1-4-8-16/h12-15,19-22H,1-11H2/t12-,13-,14+,15?,18+/m1/s1
InChIKeySRHZZVJGCCHMPN-AYFMFYLFSA-N
XLogP0.84
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol?
The IUPAC name of (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol (CID 69472559) is (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol.
What is the SMILES notation for (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol?
The canonical SMILES for (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol is OC1C2(CCCCC2)[C@]1(O)[C@@H](O)[C@H](O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol?
The InChIKey is SRHZZVJGCCHMPN-AYFMFYLFSA-N. The full InChI is InChI=1S/C18H30O6/c19-13(12-11-23-17(24-12)9-5-2-6-10-17)14(20)18(22)15(21)16(18)7-3-1-4-8-16/h12-15,19-22H,1-11H2/t12-,13-,14+,15?,18+/m1/s1.
What are the key properties of (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol?
(2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol has a molecular weight of 342.43 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2S)-2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-dihydroxyethyl]spiro[2.5]octane-1,2-diol is sourced from PubChem (CID 69472559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).