(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

C20H36O4Si — CID 10937501

IUPAC(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(OCCO2)[C@]2(C)CC[C@H](O)C=C12
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-14-15-7-10-20(22-11-12-23-20)19(4)9-8-16(21)13-17(15)19/h13,15-16,21H,7-12,14H2,1-6H3/t15-,16-,19+/m0/s1
InChIKeyIJALIODCVJNPLX-TXPKVOOTSA-N
MW368.59 g/mol
LogP4.25
Rot. Bonds3

About (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (PubChem CID 10937501) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.

Molecular Properties

Compound Name(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
PubChem CID10937501
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(OCCO2)[C@]2(C)CC[C@H](O)C=C12
InChIInChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-14-15-7-10-20(22-11-12-23-20)19(4)9-8-16(21)13-17(15)19/h13,15-16,21H,7-12,14H2,1-6H3/t15-,16-,19+/m0/s1
InChIKeyIJALIODCVJNPLX-TXPKVOOTSA-N
XLogP4.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.25
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'}

Analyze (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The IUPAC name of (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (CID 10937501) is (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.
What is the SMILES notation for (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The canonical SMILES for (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(OCCO2)[C@]2(C)CC[C@H](O)C=C12.
What is the InChIKey of (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The InChIKey is IJALIODCVJNPLX-TXPKVOOTSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-18(2,3)25(5,6)24-14-15-7-10-20(22-11-12-23-20)19(4)9-8-16(21)13-17(15)19/h13,15-16,21H,7-12,14H2,1-6H3/t15-,16-,19+/m0/s1.
What are the key properties of (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
(2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol has a molecular weight of 368.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4'aR,8'R)-8'-[[tert-butyl(dimethyl)silyl]oxymethyl]-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is sourced from PubChem (CID 10937501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).