2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one

C26H42O5Si — CID 173153821

IUPAC2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one
SMILESC[SiH](C)OC(C(C)(C)C)C1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1CO)OCCO3
InChIInChI=1S/C26H42O5Si/c1-24(2,3)23(31-32(5)6)25(4)21(9-10-22(25)28)19-8-7-17-15-26(29-13-14-30-26)12-11-18(17)20(19)16-27/h15,19,21,23,27,32H,7-14,16H2,1-6H3
InChIKeyXAOMGPWZVLKFAS-UHFFFAOYSA-N
MW462.70 g/mol
LogP4.55
Rot. Bonds5

About 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one

2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one (PubChem CID 173153821) has the molecular formula C26H42O5Si and a molecular weight of 462.70 g/mol. Its IUPAC name is 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one
PubChem CID173153821
Molecular FormulaC26H42O5Si
Molecular Weight462.70 g/mol
Exact Mass462.28
IUPAC Name2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one
SMILESC[SiH](C)OC(C(C)(C)C)C1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1CO)OCCO3
InChIInChI=1S/C26H42O5Si/c1-24(2,3)23(31-32(5)6)25(4)21(9-10-22(25)28)19-8-7-17-15-26(29-13-14-30-26)12-11-18(17)20(19)16-27/h15,19,21,23,27,32H,7-14,16H2,1-6H3
InChIKeyXAOMGPWZVLKFAS-UHFFFAOYSA-N
XLogP4.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.70
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one?
The IUPAC name of 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one (CID 173153821) is 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one.
What is the SMILES notation for 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one?
The canonical SMILES for 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one is C[SiH](C)OC(C(C)(C)C)C1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1CO)OCCO3.
What is the InChIKey of 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one?
The InChIKey is XAOMGPWZVLKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O5Si/c1-24(2,3)23(31-32(5)6)25(4)21(9-10-22(25)28)19-8-7-17-15-26(29-13-14-30-26)12-11-18(17)20(19)16-27/h15,19,21,23,27,32H,7-14,16H2,1-6H3.
What are the key properties of 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one?
2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one has a molecular weight of 462.70 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 173153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).