2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde

C12H20O4 — CID 11096366

IUPAC2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde
SMILESC[C@@H]1CC[C@@H](CC=O)OC12O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C12H20O4/c1-8-4-5-11(6-7-13)16-12(8)14-9(2)10(3)15-12/h7-11H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyTYGJNCSZKJOGCV-DBIOUOCHSA-N
MW228.29 g/mol
LogP1.87
Rot. Bonds2

About 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde

2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde (PubChem CID 11096366) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde
PubChem CID11096366
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde
SMILESC[C@@H]1CC[C@@H](CC=O)OC12O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C12H20O4/c1-8-4-5-11(6-7-13)16-12(8)14-9(2)10(3)15-12/h7-11H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyTYGJNCSZKJOGCV-DBIOUOCHSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde (CID 11096366) is 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde is C[C@@H]1CC[C@@H](CC=O)OC12O[C@H](C)[C@@H](C)O2.
What is the InChIKey of 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde?
The InChIKey is TYGJNCSZKJOGCV-DBIOUOCHSA-N. The full InChI is InChI=1S/C12H20O4/c1-8-4-5-11(6-7-13)16-12(8)14-9(2)10(3)15-12/h7-11H,4-6H2,1-3H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde?
2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde has a molecular weight of 228.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde is sourced from PubChem (CID 11096366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).