methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate

C26H42O7 — CID 154731525

IUPACmethyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate
SMILESCC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(CC(=O)OC)O2)O1
InChIInChI=1S/C26H42O7/c1-7-26(11-9-20(33-26)25(5)10-8-18(32-25)14-21(27)29-6)23-16(3)13-19(30-23)22-15(2)12-17(4)24(28)31-22/h15-20,22-23H,7-14H2,1-6H3/t15-,16-,17+,18?,19+,20+,22-,23+,25-,26-/m0/s1
InChIKeyFNTCBPXQLWXJKH-ORILXDHRSA-N
MW466.62 g/mol
LogP4.20
Rot. Bonds6

About methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate

methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate (PubChem CID 154731525) has the molecular formula C26H42O7 and a molecular weight of 466.62 g/mol. Its IUPAC name is methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate
PubChem CID154731525
Molecular FormulaC26H42O7
Molecular Weight466.62 g/mol
Exact Mass466.29
IUPAC Namemethyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate
SMILESCC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(CC(=O)OC)O2)O1
InChIInChI=1S/C26H42O7/c1-7-26(11-9-20(33-26)25(5)10-8-18(32-25)14-21(27)29-6)23-16(3)13-19(30-23)22-15(2)12-17(4)24(28)31-22/h15-20,22-23H,7-14H2,1-6H3/t15-,16-,17+,18?,19+,20+,22-,23+,25-,26-/m0/s1
InChIKeyFNTCBPXQLWXJKH-ORILXDHRSA-N
XLogP4.20
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate (CID 154731525) is methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate is CC[C@@]1([C@@H]2O[C@@H]([C@H]3OC(=O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC(CC(=O)OC)O2)O1.
What is the InChIKey of methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate?
The InChIKey is FNTCBPXQLWXJKH-ORILXDHRSA-N. The full InChI is InChI=1S/C26H42O7/c1-7-26(11-9-20(33-26)25(5)10-8-18(32-25)14-21(27)29-6)23-16(3)13-19(30-23)22-15(2)12-17(4)24(28)31-22/h15-20,22-23H,7-14H2,1-6H3/t15-,16-,17+,18?,19+,20+,22-,23+,25-,26-/m0/s1.
What are the key properties of methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate?
methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate has a molecular weight of 466.62 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5S)-5-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-methyloxolan-2-yl]-5-ethyloxolan-2-yl]-5-methyloxolan-2-yl]acetate is sourced from PubChem (CID 154731525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).