(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol

C20H38O4Si — CID 25058807

IUPAC(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol
SMILESC=CC[C@@H](O)/C=C\[C@@H]1C[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H38O4Si/c1-10-11-16(21)12-13-17-14-18(23-20(6,7)22-17)15(2)24-25(8,9)19(3,4)5/h10,12-13,15-18,21H,1,11,14H2,2-9H3/b13-12-/t15-,16+,17+,18+/m0/s1
InChIKeyFDPZIJFGBHTCCH-NBILACBVSA-N
MW370.61 g/mol
LogP4.80
Rot. Bonds7

About (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol

(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol (PubChem CID 25058807) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol
PubChem CID25058807
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol
SMILESC=CC[C@@H](O)/C=C\[C@@H]1C[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H38O4Si/c1-10-11-16(21)12-13-17-14-18(23-20(6,7)22-17)15(2)24-25(8,9)19(3,4)5/h10,12-13,15-18,21H,1,11,14H2,2-9H3/b13-12-/t15-,16+,17+,18+/m0/s1
InChIKeyFDPZIJFGBHTCCH-NBILACBVSA-N
XLogP4.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol?
The IUPAC name of (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol (CID 25058807) is (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol.
What is the SMILES notation for (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol?
The canonical SMILES for (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol is C=CC[C@@H](O)/C=C\[C@@H]1C[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol?
The InChIKey is FDPZIJFGBHTCCH-NBILACBVSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-10-11-16(21)12-13-17-14-18(23-20(6,7)22-17)15(2)24-25(8,9)19(3,4)5/h10,12-13,15-18,21H,1,11,14H2,2-9H3/b13-12-/t15-,16+,17+,18+/m0/s1.
What are the key properties of (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol?
(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol has a molecular weight of 370.61 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol is sourced from PubChem (CID 25058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).