2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol

C30H50O7 — CID 101484515

IUPAC2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@@](C)([C@@H]3CC[C@@H]([C@]4(C)CC[C@@]5(OC(C)(C)[C@H]6CC[C@]5(C)O6)O4)O3)O2)O1
InChIInChI=1S/C30H50O7/c1-24(2,31)19-11-14-27(6,33-19)23-12-15-26(5,34-23)21-9-10-22(32-21)28(7)17-18-30(37-28)29(8)16-13-20(35-29)25(3,4)36-30/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22-,23-,26-,27-,28-,29-,30+/m0/s1
InChIKeyOJRLSDFNVRNIJP-FABJWKOASA-N
MW522.72 g/mol
LogP5.19
Rot. Bonds4

About 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol

2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol (PubChem CID 101484515) has the molecular formula C30H50O7 and a molecular weight of 522.72 g/mol. Its IUPAC name is 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol
PubChem CID101484515
Molecular FormulaC30H50O7
Molecular Weight522.72 g/mol
Exact Mass522.36
IUPAC Name2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@@](C)([C@@H]3CC[C@@H]([C@]4(C)CC[C@@]5(OC(C)(C)[C@H]6CC[C@]5(C)O6)O4)O3)O2)O1
InChIInChI=1S/C30H50O7/c1-24(2,31)19-11-14-27(6,33-19)23-12-15-26(5,34-23)21-9-10-22(32-21)28(7)17-18-30(37-28)29(8)16-13-20(35-29)25(3,4)36-30/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22-,23-,26-,27-,28-,29-,30+/m0/s1
InChIKeyOJRLSDFNVRNIJP-FABJWKOASA-N
XLogP5.19
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol with MolForge

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Related Compounds

(5S)-5-methyl-5-[(2S,5R)-5-[(1R,2R,2'R,5S)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-one
CID 139088419
(2S,3S,5R)-2-[(2R,4aS,6R,8aR)-6-[(2S,5S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-5-bromo-2,6,6-trimethyloxan-3-ol
CID 162955825
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 42599666
(E)-8-(3,3-dimethyloxiran-2-yl)-2-[5-[(2S)-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-6-methyloct-5-en-2-ol
CID 122203829
(E,6R)-6-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
CID 46703589
(1R,4S)-4-[(2S,4aR,6R,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol
CID 162921461
6-[5-[5-(7-bromo-2,4a,6,6,9a-pentamethyl-4,7,8,9-tetrahydro-3H-pyrano[3,2-b]oxepin-2-yl)oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylheptane-2,3,6-triol
CID 163113866
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
[(3S,6R)-6-[(2S,5R)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-2,6-dihydroxy-2-methylheptan-3-yl] acetate
CID 101430053
[(1S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-4-hydroxy-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-5-sulfooxypentyl] hydrogen sulfate
CID 53377322
(E,6R)-6-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S)-5-[(E,2R)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
CID 163014207
[(E,1S)-4-[(2S,4aS,6R,8aS)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-oxobut-2-enyl] acetate
CID 101408154

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol (CID 101484515) is 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CC[C@@](C)([C@@H]2CC[C@@](C)([C@@H]3CC[C@@H]([C@]4(C)CC[C@@]5(OC(C)(C)[C@H]6CC[C@]5(C)O6)O4)O3)O2)O1.
What is the InChIKey of 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol?
The InChIKey is OJRLSDFNVRNIJP-FABJWKOASA-N. The full InChI is InChI=1S/C30H50O7/c1-24(2,31)19-11-14-27(6,33-19)23-12-15-26(5,34-23)21-9-10-22(32-21)28(7)17-18-30(37-28)29(8)16-13-20(35-29)25(3,4)36-30/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22-,23-,26-,27-,28-,29-,30+/m0/s1.
What are the key properties of 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol?
2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol has a molecular weight of 522.72 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-methyl-5-[(2S,5S)-5-methyl-5-[(2S,5S)-5-[(1S,2R,2'S,5R)-1,2',4,4-tetramethylspiro[3,8-dioxabicyclo[3.2.1]octane-2,5'-oxolane]-2'-yl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propan-2-ol is sourced from PubChem (CID 101484515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).