(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

C13H22O5 — CID 11311460

IUPAC(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCOCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(CCCO2)O[C@H]1C=O
InChIInChI=1S/C13H22O5/c1-9-10(2)13(5-4-6-17-13)18-11(7-14)12(9)16-8-15-3/h7,9-12H,4-6,8H2,1-3H3/t9-,10-,11-,12+,13+/m0/s1
InChIKeyXQPYHZTUFSEXTE-JZRPKSSGSA-N
MW258.31 g/mol
LogP1.35
Rot. Bonds4

About (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde

(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 11311460) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
PubChem CID11311460
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESCOCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(CCCO2)O[C@H]1C=O
InChIInChI=1S/C13H22O5/c1-9-10(2)13(5-4-6-17-13)18-11(7-14)12(9)16-8-15-3/h7,9-12H,4-6,8H2,1-3H3/t9-,10-,11-,12+,13+/m0/s1
InChIKeyXQPYHZTUFSEXTE-JZRPKSSGSA-N
XLogP1.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde with MolForge

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Related Compounds

1-(5-Methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)ethanone
CID 14282957
5-(5-Methoxy-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl)-2-methylpentanal
CID 20305768
5-[3-(2,2-Diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940474
2-(5-Methyl-2-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl)acetaldehyde
CID 88837303
methyl (2R,4S,5R,6R)-2-acetyloxy-6-[(2R,3S)-4-acetyloxy-3-methylbutan-2-yl]-4,5-dimethyloxane-2-carboxylate
CID 90276092
2-(1,4-Dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde
CID 91473188
methyl (2R,3S)-2-(1,3-dioxolan-2-ylmethyl)-3-methyl-6-(2-oxoethyl)oxane-2-carboxylate
CID 176889615
(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde
CID 10900042
2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde
CID 11096366
ethyl (4R,5S,6R,8S,9S)-9-formyl-8-methoxy-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate
CID 11120649
(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11573455
(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11774767

Frequently Asked Questions

What is the IUPAC name of (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde (CID 11311460) is (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is COCO[C@@H]1[C@@H](C)[C@H](C)[C@@]2(CCCO2)O[C@H]1C=O.
What is the InChIKey of (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is XQPYHZTUFSEXTE-JZRPKSSGSA-N. The full InChI is InChI=1S/C13H22O5/c1-9-10(2)13(5-4-6-17-13)18-11(7-14)12(9)16-8-15-3/h7,9-12H,4-6,8H2,1-3H3/t9-,10-,11-,12+,13+/m0/s1.
What are the key properties of (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde?
(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 258.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 11311460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).