(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol

C22H46O4Si — CID 134863684

IUPAC(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
SMILESCC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O4Si/c1-14(2)27(15(3)4,16(5)6)25-13-17(7)20(23)19(9)21-18(8)12-24-22(10,11)26-21/h14-21,23H,12-13H2,1-11H3/t17-,18-,19+,20+,21+/m1/s1
InChIKeyHXXKHKWTNVUMNW-MJCUULBUSA-N
MW402.69 g/mol
LogP5.60
Rot. Bonds9

About (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol

(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol (PubChem CID 134863684) has the molecular formula C22H46O4Si and a molecular weight of 402.69 g/mol. Its IUPAC name is (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
PubChem CID134863684
Molecular FormulaC22H46O4Si
Molecular Weight402.69 g/mol
Exact Mass402.32
IUPAC Name(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
SMILESCC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O4Si/c1-14(2)27(15(3)4,16(5)6)25-13-17(7)20(23)19(9)21-18(8)12-24-22(10,11)26-21/h14-21,23H,12-13H2,1-11H3/t17-,18-,19+,20+,21+/m1/s1
InChIKeyHXXKHKWTNVUMNW-MJCUULBUSA-N
XLogP5.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.69
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol?
The IUPAC name of (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol (CID 134863684) is (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol.
What is the SMILES notation for (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol?
The canonical SMILES for (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol is CC(C)[Si](OC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol?
The InChIKey is HXXKHKWTNVUMNW-MJCUULBUSA-N. The full InChI is InChI=1S/C22H46O4Si/c1-14(2)27(15(3)4,16(5)6)25-13-17(7)20(23)19(9)21-18(8)12-24-22(10,11)26-21/h14-21,23H,12-13H2,1-11H3/t17-,18-,19+,20+,21+/m1/s1.
What are the key properties of (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol?
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol has a molecular weight of 402.69 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol is sourced from PubChem (CID 134863684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).