(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol

C22H40O5 — CID 16755942

IUPAC(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2C[C@H]3OC(C)(C)O[C@H]3O2)O1
InChIInChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-16(23)17-13-14-18(24-17)19-15-20-21(25-19)27-22(2,3)26-20/h16-21,23H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1
InChIKeyUVVJTFNMJWKRMU-UCGFNCKJSA-N
MW384.56 g/mol
LogP4.69
Rot. Bonds11

About (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol

(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol (PubChem CID 16755942) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol
PubChem CID16755942
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2C[C@H]3OC(C)(C)O[C@H]3O2)O1
InChIInChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-16(23)17-13-14-18(24-17)19-15-20-21(25-19)27-22(2,3)26-20/h16-21,23H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1
InChIKeyUVVJTFNMJWKRMU-UCGFNCKJSA-N
XLogP4.69
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol 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

(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]butan-1-ol
CID 118198785
(5R)-5-[(2S,5S)-5-[(1R)-3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypropyl]oxolan-2-yl]oxolan-2-one
CID 10671431
(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
CID 11099459
1-[(3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 163503532
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
(1R)-1-[(2S,3R,5S)-3-chloro-5-[(2R,5R)-5-[(1R)-1-hydroxyhex-5-enyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 71468866
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1R)-1-[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]heptadec-4-yn-1-ol
CID 132528977
(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 25149220

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol?
The IUPAC name of (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol (CID 16755942) is (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol?
The canonical SMILES for (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol is CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H]2C[C@H]3OC(C)(C)O[C@H]3O2)O1.
What is the InChIKey of (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol?
The InChIKey is UVVJTFNMJWKRMU-UCGFNCKJSA-N. The full InChI is InChI=1S/C22H40O5/c1-4-5-6-7-8-9-10-11-12-16(23)17-13-14-18(24-17)19-15-20-21(25-19)27-22(2,3)26-20/h16-21,23H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21-/m1/s1.
What are the key properties of (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol?
(1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol has a molecular weight of 384.56 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5R)-5-[(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]undecan-1-ol is sourced from PubChem (CID 16755942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).