4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde

C12H18O6 — CID 12805133

IUPAC4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde
SMILESCC1(C)OC2OC(C=O)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C12H18O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h5-10H,1-4H3
InChIKeyLWBFEDVQAXNLQJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.58
Rot. Bonds1

About 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde

4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde (PubChem CID 12805133) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde.

Molecular Properties

Compound Name4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde
PubChem CID12805133
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde
SMILESCC1(C)OC2OC(C=O)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C12H18O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h5-10H,1-4H3
InChIKeyLWBFEDVQAXNLQJ-UHFFFAOYSA-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'}

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Related Compounds

Dikegulac-sodium
CID 23667639
L-enantiomer
CID 11391247
(1R,2S,6S,8R,9S)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-one
CID 44573141
1,2:3,4-Di-O-isopropylidene-alpha-D-galacto-hexadialdo-1,5-pyranose
CID 10879754
4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxylic acid
CID 540811
1,2:3,4-Di-O-isopropylidene-a-D-galacturonide
CID 1789081
D-Epoxone
CID 7275400
(3aR,4R,6S,7aS)-4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 10856890
2,3:4,6-Di-O-isopropylidene-L-Sorbosone
CID 10978128
Zegnzpmitnpdhg-qridjokksa-
CID 11087450
4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-one
CID 268834
Galactopyranuronic acid, 1,2:3,4-di-O-isopropylidene-, methyl ester, alpha-D-
CID 540895

Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde?
The IUPAC name of 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde (CID 12805133) is 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde.
What is the SMILES notation for 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde?
The canonical SMILES for 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde is CC1(C)OC2OC(C=O)C3OC(C)(C)OC3C2O1.
What is the InChIKey of 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde?
The InChIKey is LWBFEDVQAXNLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h5-10H,1-4H3.
What are the key properties of 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde?
4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-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 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde is sourced from PubChem (CID 12805133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).