[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate

C29H62O7Si4 — CID 101251095

IUPAC[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C29H62O7Si4/c1-14-15-16-17-18-19-20-21-22-25(30)31-23-24-26(33-37(2,3)4)27(34-38(5,6)7)28(35-39(8,9)10)29(32-24)36-40(11,12)13/h14,24,26-29H,1,15-23H2,2-13H3/t24-,26-,27+,28+,29-/m1/s1
InChIKeyWNJNFJPFSXTGAF-XZTKVPSQSA-N
MW635.15 g/mol
LogP8.07
Rot. Bonds19

About [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate

[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate (PubChem CID 101251095) has the molecular formula C29H62O7Si4 and a molecular weight of 635.15 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate
PubChem CID101251095
Molecular FormulaC29H62O7Si4
Molecular Weight635.15 g/mol
Exact Mass634.36
IUPAC Name[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C29H62O7Si4/c1-14-15-16-17-18-19-20-21-22-25(30)31-23-24-26(33-37(2,3)4)27(34-38(5,6)7)28(35-39(8,9)10)29(32-24)36-40(11,12)13/h14,24,26-29H,1,15-23H2,2-13H3/t24-,26-,27+,28+,29-/m1/s1
InChIKeyWNJNFJPFSXTGAF-XZTKVPSQSA-N
XLogP8.07
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.15
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate?
The IUPAC name of [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate (CID 101251095) is [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate is C=CCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate?
The InChIKey is WNJNFJPFSXTGAF-XZTKVPSQSA-N. The full InChI is InChI=1S/C29H62O7Si4/c1-14-15-16-17-18-19-20-21-22-25(30)31-23-24-26(33-37(2,3)4)27(34-38(5,6)7)28(35-39(8,9)10)29(32-24)36-40(11,12)13/h14,24,26-29H,1,15-23H2,2-13H3/t24-,26-,27+,28+,29-/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate?
[(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate has a molecular weight of 635.15 g/mol, XLogP of 8.07, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl undec-10-enoate is sourced from PubChem (CID 101251095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).