(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde

C12H18O6 — CID 10978128

IUPAC(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde
SMILESCC1(C)OC[C@@H]2O[C@@]3(C=O)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C12H18O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h6-9H,5H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKeyJOWKTIMZFHYNDL-NHRVJRKFSA-N
MW258.27 g/mol
LogP0.58
Rot. Bonds1

About (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde

(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde (PubChem CID 10978128) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde.

Molecular Properties

Compound Name(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde
PubChem CID10978128
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde
SMILESCC1(C)OC[C@@H]2O[C@@]3(C=O)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C12H18O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h6-9H,5H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKeyJOWKTIMZFHYNDL-NHRVJRKFSA-N
XLogP0.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde?
The IUPAC name of (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde (CID 10978128) is (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde.
What is the SMILES notation for (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde?
The canonical SMILES for (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde is CC1(C)OC[C@@H]2O[C@@]3(C=O)OC(C)(C)O[C@H]3[C@@H]2O1.
What is the InChIKey of (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde?
The InChIKey is JOWKTIMZFHYNDL-NHRVJRKFSA-N. The full InChI is InChI=1S/C12H18O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h6-9H,5H2,1-4H3/t7-,8+,9-,12-/m0/s1.
What are the key properties of (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde?
(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde has a molecular weight of 258.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carbaldehyde is sourced from PubChem (CID 10978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).