(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

C24H42O3Si2 — CID 11327996

IUPAC(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESC[C@@H]1[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O3Si2/c1-17-20(16-25)22(27-29(10,11)24(5,6)7)19-15-13-12-14-18(19)21(17)26-28(8,9)23(2,3)4/h12-17,20-22H,1-11H3/t17-,20-,21+,22+/m1/s1
InChIKeyLRRBKWGBCPCILP-GFRNBQLOSA-N
MW434.77 g/mol
LogP7.28
Rot. Bonds5

About (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 11327996) has the molecular formula C24H42O3Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
PubChem CID11327996
Molecular FormulaC24H42O3Si2
Molecular Weight434.77 g/mol
Exact Mass434.27
IUPAC Name(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESC[C@@H]1[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O3Si2/c1-17-20(16-25)22(27-29(10,11)24(5,6)7)19-15-13-12-14-18(19)21(17)26-28(8,9)23(2,3)4/h12-17,20-22H,1-11H3/t17-,20-,21+,22+/m1/s1
InChIKeyLRRBKWGBCPCILP-GFRNBQLOSA-N
XLogP7.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.77
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (CID 11327996) is (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is C[C@@H]1[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc2[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is LRRBKWGBCPCILP-GFRNBQLOSA-N. The full InChI is InChI=1S/C24H42O3Si2/c1-17-20(16-25)22(27-29(10,11)24(5,6)7)19-15-13-12-14-18(19)21(17)26-28(8,9)23(2,3)4/h12-17,20-22H,1-11H3/t17-,20-,21+,22+/m1/s1.
What are the key properties of (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
(1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 434.77 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 11327996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).