(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol

C40H74O7Si — CID 11342956

IUPAC(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESC=CCC[C@@]1(C)O[C@@](C)([C@@H]2CC[C@@H]([C@@]3(C)CC[C@@H]([C@](C)(O)CC[C@H]4OC(C)(C)OC4(C)C)O3)O2)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C40H74O7Si/c1-16-17-23-39(14)34(45-48(27(2)3,28(4)5)29(6)7)22-26-40(15,47-39)33-19-18-32(42-33)38(13)25-21-31(44-38)37(12,41)24-20-30-35(8,9)46-36(10,11)43-30/h16,27-34,41H,1,17-26H2,2-15H3/t30-,31+,32+,33+,34+,37-,38-,39-,40-/m1/s1
InChIKeyVHBHRHJEXXIUSU-KKFYNXNSSA-N
MW695.11 g/mol
LogP9.79
Rot. Bonds14

About (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol

(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol (PubChem CID 11342956) has the molecular formula C40H74O7Si and a molecular weight of 695.11 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
PubChem CID11342956
Molecular FormulaC40H74O7Si
Molecular Weight695.11 g/mol
Exact Mass694.52
IUPAC Name(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
SMILESC=CCC[C@@]1(C)O[C@@](C)([C@@H]2CC[C@@H]([C@@]3(C)CC[C@@H]([C@](C)(O)CC[C@H]4OC(C)(C)OC4(C)C)O3)O2)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C40H74O7Si/c1-16-17-23-39(14)34(45-48(27(2)3,28(4)5)29(6)7)22-26-40(15,47-39)33-19-18-32(42-33)38(13)25-21-31(44-38)37(12,41)24-20-30-35(8,9)46-36(10,11)43-30/h16,27-34,41H,1,17-26H2,2-15H3/t30-,31+,32+,33+,34+,37-,38-,39-,40-/m1/s1
InChIKeyVHBHRHJEXXIUSU-KKFYNXNSSA-N
XLogP9.79
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.11
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The IUPAC name of (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol (CID 11342956) is (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol.
What is the SMILES notation for (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The canonical SMILES for (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol is C=CCC[C@@]1(C)O[C@@](C)([C@@H]2CC[C@@H]([C@@]3(C)CC[C@@H]([C@](C)(O)CC[C@H]4OC(C)(C)OC4(C)C)O3)O2)CC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
The InChIKey is VHBHRHJEXXIUSU-KKFYNXNSSA-N. The full InChI is InChI=1S/C40H74O7Si/c1-16-17-23-39(14)34(45-48(27(2)3,28(4)5)29(6)7)22-26-40(15,47-39)33-19-18-32(42-33)38(13)25-21-31(44-38)37(12,41)24-20-30-35(8,9)46-36(10,11)43-30/h16,27-34,41H,1,17-26H2,2-15H3/t30-,31+,32+,33+,34+,37-,38-,39-,40-/m1/s1.
What are the key properties of (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol?
(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol has a molecular weight of 695.11 g/mol, XLogP of 9.79, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol is sourced from PubChem (CID 11342956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).