2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde

C18H30O9 — CID 123985078

IUPAC2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
SMILESCC1(C)OC2CC3OCC(COCCOCCOCCOCC=O)(O3)C2O1
InChIInChI=1S/C18H30O9/c1-17(2)25-14-11-15-24-13-18(26-15,16(14)27-17)12-23-10-9-22-8-7-21-6-5-20-4-3-19/h3,14-16H,4-13H2,1-2H3
InChIKeyMRRXLSFATRFQJT-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.29
Rot. Bonds13

About 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde

2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde (PubChem CID 123985078) has the molecular formula C18H30O9 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
PubChem CID123985078
Molecular FormulaC18H30O9
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde
SMILESCC1(C)OC2CC3OCC(COCCOCCOCCOCC=O)(O3)C2O1
InChIInChI=1S/C18H30O9/c1-17(2)25-14-11-15-24-13-18(26-15,16(14)27-17)12-23-10-9-22-8-7-21-6-5-20-4-3-19/h3,14-16H,4-13H2,1-2H3
InChIKeyMRRXLSFATRFQJT-UHFFFAOYSA-N
XLogP0.29
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6R,8S)-4,4-dimethyl-1-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecane
CID 129136836
2-[2-[2-[2-[[(1S,2R,6R,8S)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 129015442
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
[(3aR,4R,7aR)-2,2-dimethyl-4-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxymethyl]-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 129015256
2-[2-[2-[2-[[(1S,2R,6R,7R,8S)-7-acetamido-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118510852
S-[2-[2-[2-[2-[[(1S,2R,6R,7R,8S)-7-acetamido-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
CID 118510989
2-[2-[2-(1,3-dioxolan-2-yl)ethoxy]ethoxy]acetaldehyde
CID 170897748
tert-butyl N-[(1S,2R,6R,7R,8S)-4,4-dimethyl-1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]carbamate
CID 129132525
2-[2-[2-[2-[[(3aR,4R,7aR)-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 167221514
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
tert-butyl N-[(1S,2R,6R,7R,8S)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]carbamate
CID 118520805
N-[1-[[1-[2-[2-[2-[2-[[(1S,2R,6R,7R,8S)-7-acetamido-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-2-[[1-[2-[2-[2-[2-[[(1S,2R,6R,7R,8S)-7-acetamido-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-[[1-[2-[2-[2-[2-[[(1S,2R,6R,8S)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]propan-2-yl]-6-[6-(pyridin-2-yldisulfanyl)hexanoylamino]hexanamide
CID 129132691

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde (CID 123985078) is 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde is CC1(C)OC2CC3OCC(COCCOCCOCCOCC=O)(O3)C2O1.
What is the InChIKey of 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde?
The InChIKey is MRRXLSFATRFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O9/c1-17(2)25-14-11-15-24-13-18(26-15,16(14)27-17)12-23-10-9-22-8-7-21-6-5-20-4-3-19/h3,14-16H,4-13H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde?
2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde has a molecular weight of 390.43 g/mol, XLogP of 0.29, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-1-yl)methoxy]ethoxy]ethoxy]ethoxy]acetaldehyde is sourced from PubChem (CID 123985078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).