(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane

C25H46O5 — CID 24808907

IUPAC(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane
SMILESC#CC[C@@H](OCOC)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCC)O1
InChIInChI=1S/C25H46O5/c1-5-7-8-9-10-11-12-13-14-15-17-24-23(29-21-27-4)18-19-25(30-24)22(16-6-2)28-20-26-3/h2,22-25H,5,7-21H2,1,3-4H3/t22-,23-,24-,25-/m1/s1
InChIKeyCHHYOIMBUOFODC-ZGFBMJKBSA-N
MW426.64 g/mol
LogP5.85
Rot. Bonds19

About (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane

(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane (PubChem CID 24808907) has the molecular formula C25H46O5 and a molecular weight of 426.64 g/mol. Its IUPAC name is (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane.

Molecular Properties

Compound Name(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane
PubChem CID24808907
Molecular FormulaC25H46O5
Molecular Weight426.64 g/mol
Exact Mass426.33
IUPAC Name(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane
SMILESC#CC[C@@H](OCOC)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCC)O1
InChIInChI=1S/C25H46O5/c1-5-7-8-9-10-11-12-13-14-15-17-24-23(29-21-27-4)18-19-25(30-24)22(16-6-2)28-20-26-3/h2,22-25H,5,7-21H2,1,3-4H3/t22-,23-,24-,25-/m1/s1
InChIKeyCHHYOIMBUOFODC-ZGFBMJKBSA-N
XLogP5.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,5S)-2-[(1R)-1-(methoxymethoxy)pent-4-ynyl]-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolane
CID 11224466
2-[(2S,4S,5R,6S)-4,5-dimethoxy-2,6-dimethylnon-7-ynoxy]oxane
CID 11266964
12-Tetrahydropyranyloxy-3-tetradecyne
CID 85591384
(2R,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-ynoxy)-6-(prop-2-ynoxymethyl)oxane
CID 91577910
1-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxan-2-yl]prop-2-yn-1-ol
CID 100939736
hexadecyl 2,3,4,6-tetra-O-(prop-2-yn-1-yl)-beta-d-glucopyranoside
CID 129759348
(2R,3R,4S,5R,6S)-2,5-diethynyl-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)oxane
CID 134884997
2-[(10R,11R)-11-(methoxymethoxy)pentacos-1-yn-10-yl]oxyoxane
CID 134885169
lithium 2-[(10R,11R)-11-(methoxymethoxy)pentacos-1-yn-10-yl]oxyoxane
CID 134885266
2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane
CID 134973523
(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-(pent-4-yn-1-yloxy)tetrahydro-2H-pyran
CID 163409535
(2S,3S,4R,5R,6S)-3,4,5-trimethoxy-2-methyl-6-(pent-4-yn-1-yloxy)tetrahydro-2H-pyran
CID 163409540

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane?
The IUPAC name of (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane (CID 24808907) is (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane.
What is the SMILES notation for (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane?
The canonical SMILES for (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane is C#CC[C@@H](OCOC)[C@H]1CC[C@@H](OCOC)[C@@H](CCCCCCCCCCCC)O1.
What is the InChIKey of (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane?
The InChIKey is CHHYOIMBUOFODC-ZGFBMJKBSA-N. The full InChI is InChI=1S/C25H46O5/c1-5-7-8-9-10-11-12-13-14-15-17-24-23(29-21-27-4)18-19-25(30-24)22(16-6-2)28-20-26-3/h2,22-25H,5,7-21H2,1,3-4H3/t22-,23-,24-,25-/m1/s1.
What are the key properties of (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane?
(2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane has a molecular weight of 426.64 g/mol, XLogP of 5.85, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-dodecyl-3-(methoxymethoxy)-6-[(1R)-1-(methoxymethoxy)but-3-ynyl]oxane is sourced from PubChem (CID 24808907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).