(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde

C19H32O5Si — CID 71770386

IUPAC(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde
SMILESC=C1[C@H]2[C@H]([C@@H](OCOC)C[C@]2(C)O[Si](C)(C)C(C)(C)C)C1(C=O)C=O
InChIInChI=1S/C19H32O5Si/c1-13-15-16(19(13,10-20)11-21)14(23-12-22-6)9-18(15,5)24-25(7,8)17(2,3)4/h10-11,14-16H,1,9,12H2,2-8H3/t14-,15-,16-,18-/m0/s1
InChIKeyBZAXEYQAOODKFG-OVWQWFNUSA-N
MW368.55 g/mol
LogP3.35
Rot. Bonds7

About (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde

(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde (PubChem CID 71770386) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde.

Molecular Properties

Compound Name(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde
PubChem CID71770386
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde
SMILESC=C1[C@H]2[C@H]([C@@H](OCOC)C[C@]2(C)O[Si](C)(C)C(C)(C)C)C1(C=O)C=O
InChIInChI=1S/C19H32O5Si/c1-13-15-16(19(13,10-20)11-21)14(23-12-22-6)9-18(15,5)24-25(7,8)17(2,3)4/h10-11,14-16H,1,9,12H2,2-8H3/t14-,15-,16-,18-/m0/s1
InChIKeyBZAXEYQAOODKFG-OVWQWFNUSA-N
XLogP3.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-7,7-bis(hydroxymethyl)-2-(methoxymethoxy)-4-methylbicyclo[3.2.0]heptan-6-one
CID 59053156
(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebicyclo[3.1.0]hexane-1-carbaldehyde
CID 10912025
2-[(1R,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxymethyl)-3,4-dimethyl-2-oxo-1-prop-2-enylcyclohexyl]acetaldehyde
CID 101441308
6-[tert-butyl(dimethyl)silyl]oxy-9,11-bis(methoxymethoxy)-3,3-dimethyl-2,4-dioxatricyclo[6.2.1.01,5]undecan-7-one
CID 146166965
(1S,3S,4R,5R,6R)-3-(methoxymethoxy)-5,6,8,8-tetramethyl-7,9-dioxatricyclo[4.4.0.01,4]decan-10-one
CID 101093481
tert-butyl-[[(1S,2R,5R)-7-(methoxymethoxy)-6,6-dimethyl-2-tricyclo[3.3.3.01,5]undecanyl]oxy]-dimethylsilane
CID 162786768
(1R,2'R,5S,6S,7S,9S)-2'-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-3',3'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,1'-cyclohexane]-2-one
CID 102362436
(3aR,4R,5S,7S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 10882987
(3aR,4S,5S,7S,7aS)-5-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 11089770
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
tert-butyl-dimethyl-[[(3R,5S,8R,9R,10R)-5,9,10-tris(methoxymethoxy)-8,15,15-trimethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-13-enyl]oxy]silane
CID 117070434

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde?
The IUPAC name of (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde (CID 71770386) is (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde.
What is the SMILES notation for (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde?
The canonical SMILES for (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde is C=C1[C@H]2[C@H]([C@@H](OCOC)C[C@]2(C)O[Si](C)(C)C(C)(C)C)C1(C=O)C=O.
What is the InChIKey of (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde?
The InChIKey is BZAXEYQAOODKFG-OVWQWFNUSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-13-15-16(19(13,10-20)11-21)14(23-12-22-6)9-18(15,5)24-25(7,8)17(2,3)4/h10-11,14-16H,1,9,12H2,2-8H3/t14-,15-,16-,18-/m0/s1.
What are the key properties of (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde?
(1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde has a molecular weight of 368.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methyl-7-methylidenebicyclo[3.2.0]heptane-6,6-dicarbaldehyde is sourced from PubChem (CID 71770386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).