(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol

C25H48O4Si — CID 134901677

IUPAC(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol
SMILESCC(C)[Si](OCC[C@@]1(C)C(O)CC[C@]2(C)[C@@H]1CCCC21OCCO1)(C(C)C)C(C)C
InChIInChI=1S/C25H48O4Si/c1-18(2)30(19(3)4,20(5)6)29-15-14-23(7)21-10-9-12-25(27-16-17-28-25)24(21,8)13-11-22(23)26/h18-22,26H,9-17H2,1-8H3/t21-,22?,23-,24-/m1/s1
InChIKeyTZCQQZXYCZALQV-ATDZWHFBSA-N
MW440.74 g/mol
LogP6.28
Rot. Bonds7

About (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol

(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol (PubChem CID 134901677) has the molecular formula C25H48O4Si and a molecular weight of 440.74 g/mol. Its IUPAC name is (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol.

Molecular Properties

Compound Name(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol
PubChem CID134901677
Molecular FormulaC25H48O4Si
Molecular Weight440.74 g/mol
Exact Mass440.33
IUPAC Name(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol
SMILESCC(C)[Si](OCC[C@@]1(C)C(O)CC[C@]2(C)[C@@H]1CCCC21OCCO1)(C(C)C)C(C)C
InChIInChI=1S/C25H48O4Si/c1-18(2)30(19(3)4,20(5)6)29-15-14-23(7)21-10-9-12-25(27-16-17-28-25)24(21,8)13-11-22(23)26/h18-22,26H,9-17H2,1-8H3/t21-,22?,23-,24-/m1/s1
InChIKeyTZCQQZXYCZALQV-ATDZWHFBSA-N
XLogP6.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol?
The IUPAC name of (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol (CID 134901677) is (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol.
What is the SMILES notation for (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol?
The canonical SMILES for (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol is CC(C)[Si](OCC[C@@]1(C)C(O)CC[C@]2(C)[C@@H]1CCCC21OCCO1)(C(C)C)C(C)C.
What is the InChIKey of (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol?
The InChIKey is TZCQQZXYCZALQV-ATDZWHFBSA-N. The full InChI is InChI=1S/C25H48O4Si/c1-18(2)30(19(3)4,20(5)6)29-15-14-23(7)21-10-9-12-25(27-16-17-28-25)24(21,8)13-11-22(23)26/h18-22,26H,9-17H2,1-8H3/t21-,22?,23-,24-/m1/s1.
What are the key properties of (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol?
(1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol has a molecular weight of 440.74 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4'aR,8'aR)-1',4'a-dimethyl-1'-[2-tri(propan-2-yl)silyloxyethyl]spiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-2H-naphthalene]-2'-ol is sourced from PubChem (CID 134901677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).