(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol

C11H20O5 — CID 11042612

IUPAC(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol
SMILESCOCO[C@H]1C[C@]2(OCC[C@@H]2O)OC[C@@H]1C
InChIInChI=1S/C11H20O5/c1-8-6-16-11(10(12)3-4-15-11)5-9(8)14-7-13-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11-/m0/s1
InChIKeyAAVPVUOZFAHNKE-NAKRPEOUSA-N
MW232.28 g/mol
LogP0.51
Rot. Bonds3

About (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol

(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol (PubChem CID 11042612) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol
PubChem CID11042612
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol
SMILESCOCO[C@H]1C[C@]2(OCC[C@@H]2O)OC[C@@H]1C
InChIInChI=1S/C11H20O5/c1-8-6-16-11(10(12)3-4-15-11)5-9(8)14-7-13-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11-/m0/s1
InChIKeyAAVPVUOZFAHNKE-NAKRPEOUSA-N
XLogP0.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 11423676
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CID 20746707
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CID 134850656
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate
CID 135060233
(2R,3R,6R,7S,8S)-7-methoxy-6-methyl-4-oxaspiro[2.5]octane-2,8-diol
CID 163850650
(3R,4R,5S,6R,10R)-3,5,11,11-tetramethyl-1,7-dioxaspiro[5.5]undecane-4,10-diol
CID 10705457
2-(methoxymethyl)oxane-2,4-diol
CID 176878463
(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118967664
2,2-diethyloxolan-3-ol
CID 130122256
(2S,3S,4S)-4-(methoxymethoxy)-3-methyloxolane-2,3-diol
CID 130917775
[2-(methoxymethoxy)cyclohexyl]methanamine
CID 106938418

Frequently Asked Questions

What is the IUPAC name of (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol?
The IUPAC name of (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol (CID 11042612) is (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol?
The canonical SMILES for (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol is COCO[C@H]1C[C@]2(OCC[C@@H]2O)OC[C@@H]1C.
What is the InChIKey of (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol?
The InChIKey is AAVPVUOZFAHNKE-NAKRPEOUSA-N. The full InChI is InChI=1S/C11H20O5/c1-8-6-16-11(10(12)3-4-15-11)5-9(8)14-7-13-2/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol?
(4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol has a molecular weight of 232.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,8S,9S)-9-(methoxymethoxy)-8-methyl-1,6-dioxaspiro[4.5]decan-4-ol is sourced from PubChem (CID 11042612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).