5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one

C34H62O6 — CID 59087758

IUPAC5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one
SMILESCCC1O[C@@H](O[C@H]2C(CC)O[C@@H](O[C@H]3C(CC)OC(CCC(C)C(C)=O)C(C)[C@H]3C)C(C)[C@H]2C)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C34H62O6/c1-13-27-20(6)19(5)24(10)33(37-27)40-32-23(9)25(11)34(38-29(32)15-3)39-31-22(8)21(7)30(36-28(31)14-2)17-16-18(4)26(12)35/h18-25,27-34H,13-17H2,1-12H3/t18?,19-,20+,21?,22+,23+,24?,25?,27?,28?,29?,30?,31+,32+,33-,34-/m0/s1
InChIKeyPQTSMNUCNFCLQO-XYZXOAOASA-N
MW566.86 g/mol
LogP7.66
Rot. Bonds11

About 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one

5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one (PubChem CID 59087758) has the molecular formula C34H62O6 and a molecular weight of 566.86 g/mol. Its IUPAC name is 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one.

Molecular Properties

Compound Name5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one
PubChem CID59087758
Molecular FormulaC34H62O6
Molecular Weight566.86 g/mol
Exact Mass566.45
IUPAC Name5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one
SMILESCCC1O[C@@H](O[C@H]2C(CC)O[C@@H](O[C@H]3C(CC)OC(CCC(C)C(C)=O)C(C)[C@H]3C)C(C)[C@H]2C)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C34H62O6/c1-13-27-20(6)19(5)24(10)33(37-27)40-32-23(9)25(11)34(38-29(32)15-3)39-31-22(8)21(7)30(36-28(31)14-2)17-16-18(4)26(12)35/h18-25,27-34H,13-17H2,1-12H3/t18?,19-,20+,21?,22+,23+,24?,25?,27?,28?,29?,30?,31+,32+,33-,34-/m0/s1
InChIKeyPQTSMNUCNFCLQO-XYZXOAOASA-N
XLogP7.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.86
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one?
The IUPAC name of 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one (CID 59087758) is 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one.
What is the SMILES notation for 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one?
The canonical SMILES for 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one is CCC1O[C@@H](O[C@H]2C(CC)O[C@@H](O[C@H]3C(CC)OC(CCC(C)C(C)=O)C(C)[C@H]3C)C(C)[C@H]2C)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one?
The InChIKey is PQTSMNUCNFCLQO-XYZXOAOASA-N. The full InChI is InChI=1S/C34H62O6/c1-13-27-20(6)19(5)24(10)33(37-27)40-32-23(9)25(11)34(38-29(32)15-3)39-31-22(8)21(7)30(36-28(31)14-2)17-16-18(4)26(12)35/h18-25,27-34H,13-17H2,1-12H3/t18?,19-,20+,21?,22+,23+,24?,25?,27?,28?,29?,30?,31+,32+,33-,34-/m0/s1.
What are the key properties of 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one?
5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one has a molecular weight of 566.86 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R,5R)-6-ethyl-5-[(2S,4R,5R)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]-3-methylpentan-2-one is sourced from PubChem (CID 59087758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).