(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol

C13H24O5 — CID 10967243

IUPAC(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCOC[C@@H]1OC2(CCCC(C)(O)C2)O[C@H]1COC
InChIInChI=1S/C13H24O5/c1-12(14)5-4-6-13(9-12)17-10(7-15-2)11(18-13)8-16-3/h10-11,14H,4-9H2,1-3H3/t10-,11-,12?/m0/s1
InChIKeyMZBLTBYHELBASX-NDQFZYFBSA-N
MW260.33 g/mol
LogP1.08
Rot. Bonds4

About (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol

(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 10967243) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID10967243
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCOC[C@@H]1OC2(CCCC(C)(O)C2)O[C@H]1COC
InChIInChI=1S/C13H24O5/c1-12(14)5-4-6-13(9-12)17-10(7-15-2)11(18-13)8-16-3/h10-11,14H,4-9H2,1-3H3/t10-,11-,12?/m0/s1
InChIKeyMZBLTBYHELBASX-NDQFZYFBSA-N
XLogP1.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol (CID 10967243) is (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol is COC[C@@H]1OC2(CCCC(C)(O)C2)O[C@H]1COC.
What is the InChIKey of (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is MZBLTBYHELBASX-NDQFZYFBSA-N. The full InChI is InChI=1S/C13H24O5/c1-12(14)5-4-6-13(9-12)17-10(7-15-2)11(18-13)8-16-3/h10-11,14H,4-9H2,1-3H3/t10-,11-,12?/m0/s1.
What are the key properties of (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol?
(2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 260.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 10967243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).