2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde

C32H58O5Si2 — CID 23643295

IUPAC2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]4(CCC(=O)O4)[C@](C)(CC=O)[C@H]3CC[C@]12C
InChIInChI=1S/C32H58O5Si2/c1-28(2,3)38(9,10)36-25-14-13-23-22-21-26(37-39(11,12)29(4,5)6)32(18-16-27(34)35-32)31(8,19-20-33)24(22)15-17-30(23,25)7/h20,22-26H,13-19,21H2,1-12H3/t22-,23-,24-,25-,26+,30-,31+,32-/m0/s1
InChIKeyUJURSJFKPRFRJZ-PIWVCLHNSA-N
MW578.98 g/mol
LogP8.28
Rot. Bonds6

About 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde

2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde (PubChem CID 23643295) has the molecular formula C32H58O5Si2 and a molecular weight of 578.98 g/mol. Its IUPAC name is 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde
PubChem CID23643295
Molecular FormulaC32H58O5Si2
Molecular Weight578.98 g/mol
Exact Mass578.38
IUPAC Name2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]4(CCC(=O)O4)[C@](C)(CC=O)[C@H]3CC[C@]12C
InChIInChI=1S/C32H58O5Si2/c1-28(2,3)38(9,10)36-25-14-13-23-22-21-26(37-39(11,12)29(4,5)6)32(18-16-27(34)35-32)31(8,19-20-33)24(22)15-17-30(23,25)7/h20,22-26H,13-19,21H2,1-12H3/t22-,23-,24-,25-,26+,30-,31+,32-/m0/s1
InChIKeyUJURSJFKPRFRJZ-PIWVCLHNSA-N
XLogP8.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.98
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde?
The IUPAC name of 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde (CID 23643295) is 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde?
The canonical SMILES for 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]4(CCC(=O)O4)[C@](C)(CC=O)[C@H]3CC[C@]12C.
What is the InChIKey of 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde?
The InChIKey is UJURSJFKPRFRJZ-PIWVCLHNSA-N. The full InChI is InChI=1S/C32H58O5Si2/c1-28(2,3)38(9,10)36-25-14-13-23-22-21-26(37-39(11,12)29(4,5)6)32(18-16-27(34)35-32)31(8,19-20-33)24(22)15-17-30(23,25)7/h20,22-26H,13-19,21H2,1-12H3/t22-,23-,24-,25-,26+,30-,31+,32-/m0/s1.
What are the key properties of 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde?
2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde has a molecular weight of 578.98 g/mol, XLogP of 8.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aS,5aS,6R,7R,8R,9aS,9bS)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3a,6-dimethyl-5'-oxospiro[1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-7,2'-oxolane]-6-yl]acetaldehyde is sourced from PubChem (CID 23643295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).