2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane

C33H60O6 — CID 10984492

IUPAC2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@@H]1CC[C@@H](OC1CCCCO1)[C@H]1CC[C@H]([C@@H]2CO2)O1
InChIInChI=1S/C33H60O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-29-30(39-33(2,3)38-29)23-22-27(37-32-19-16-17-24-34-32)26-20-21-28(36-26)31-25-35-31/h26-32H,4-25H2,1-3H3/t26-,27-,28-,29-,30-,31+,32?/m1/s1
InChIKeyDWJMIOZYNDITHQ-UKWJRNKASA-N
MW552.84 g/mol
LogP8.24
Rot. Bonds20

About 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane

2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane (PubChem CID 10984492) has the molecular formula C33H60O6 and a molecular weight of 552.84 g/mol. Its IUPAC name is 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane.

Molecular Properties

Compound Name2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane
PubChem CID10984492
Molecular FormulaC33H60O6
Molecular Weight552.84 g/mol
Exact Mass552.44
IUPAC Name2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@@H]1CC[C@@H](OC1CCCCO1)[C@H]1CC[C@H]([C@@H]2CO2)O1
InChIInChI=1S/C33H60O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-29-30(39-33(2,3)38-29)23-22-27(37-32-19-16-17-24-34-32)26-20-21-28(36-26)31-25-35-31/h26-32H,4-25H2,1-3H3/t26-,27-,28-,29-,30-,31+,32?/m1/s1
InChIKeyDWJMIOZYNDITHQ-UKWJRNKASA-N
XLogP8.24
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.84
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane with MolForge

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Related Compounds

(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
(2S,5S)-5-[(1S)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)propyl]oxolane-2-carbaldehyde
CID 10885578
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
2-oct-1-en-3-yloxyoxane
CID 10727282
methyl (4R,15R)-2-[(2S)-1-hydroxy-2-(oxan-2-yloxy)propyl]-4,15-bis(methoxymethoxy)-15-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]pentadecanoate
CID 10260118
(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-amino-11-(oxan-2-yloxy)undecyl]oxolan-2-yl]oxolan-2-yl]-11-(oxan-2-yloxy)undecan-1-amine
CID 101011145
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(2S)-2-[(1R)-1-(oxan-2-yloxy)octyl]dodecanoic acid
CID 101131263
(4R,5S)-4-(chloromethyl)-5-dodecyl-2,2-dimethyl-1,3-dioxolane
CID 11782144
2-hept-1-en-3-yloxyoxane
CID 20796050

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane?
The IUPAC name of 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane (CID 10984492) is 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane.
What is the SMILES notation for 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane?
The canonical SMILES for 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane is CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@@H]1CC[C@@H](OC1CCCCO1)[C@H]1CC[C@H]([C@@H]2CO2)O1.
What is the InChIKey of 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane?
The InChIKey is DWJMIOZYNDITHQ-UKWJRNKASA-N. The full InChI is InChI=1S/C33H60O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-29-30(39-33(2,3)38-29)23-22-27(37-32-19-16-17-24-34-32)26-20-21-28(36-26)31-25-35-31/h26-32H,4-25H2,1-3H3/t26-,27-,28-,29-,30-,31+,32?/m1/s1.
What are the key properties of 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane?
2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane has a molecular weight of 552.84 g/mol, XLogP of 8.24, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-[(2S)-oxiran-2-yl]oxolan-2-yl]propoxy]oxane is sourced from PubChem (CID 10984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).