(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal

C29H54O7 — CID 11799988

IUPAC(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal
SMILESCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@@H](CCCCC=O)OCOC)O2)O1
InChIInChI=1S/C29H54O7/c1-4-5-6-7-8-9-10-12-15-24(33-22-31-2)26-17-19-28(35-26)29-20-18-27(36-29)25(34-23-32-3)16-13-11-14-21-30/h21,24-29H,4-20,22-23H2,1-3H3/t24-,25-,26-,27-,28+,29-/m1/s1
InChIKeyHDIRIMYDAJAFSQ-JWTUPCLRSA-N
MW514.74 g/mol
LogP6.35
Rot. Bonds23

About (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal

(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal (PubChem CID 11799988) has the molecular formula C29H54O7 and a molecular weight of 514.74 g/mol. Its IUPAC name is (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal.

Molecular Properties

Compound Name(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal
PubChem CID11799988
Molecular FormulaC29H54O7
Molecular Weight514.74 g/mol
Exact Mass514.39
IUPAC Name(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal
SMILESCCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@@H](CCCCC=O)OCOC)O2)O1
InChIInChI=1S/C29H54O7/c1-4-5-6-7-8-9-10-12-15-24(33-22-31-2)26-17-19-28(35-26)29-20-18-27(36-29)25(34-23-32-3)16-13-11-14-21-30/h21,24-29H,4-20,22-23H2,1-3H3/t24-,25-,26-,27-,28+,29-/m1/s1
InChIKeyHDIRIMYDAJAFSQ-JWTUPCLRSA-N
XLogP6.35
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.74
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal?
The IUPAC name of (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal (CID 11799988) is (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal.
What is the SMILES notation for (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal?
The canonical SMILES for (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal is CCCCCCCCCC[C@@H](OCOC)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@@H](CCCCC=O)OCOC)O2)O1.
What is the InChIKey of (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal?
The InChIKey is HDIRIMYDAJAFSQ-JWTUPCLRSA-N. The full InChI is InChI=1S/C29H54O7/c1-4-5-6-7-8-9-10-12-15-24(33-22-31-2)26-17-19-28(35-26)29-20-18-27(36-29)25(34-23-32-3)16-13-11-14-21-30/h21,24-29H,4-20,22-23H2,1-3H3/t24-,25-,26-,27-,28+,29-/m1/s1.
What are the key properties of (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal?
(6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal has a molecular weight of 514.74 g/mol, XLogP of 6.35, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methoxymethoxy)-6-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]hexanal is sourced from PubChem (CID 11799988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).