(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane

C17H26O4Si — CID 164816144

IUPAC(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc2c(c1)COC(C)(C1CCCC1)O2
InChIInChI=1S/C17H26O4Si/c1-17(14-7-5-6-8-14)20-12-13-11-15(9-10-16(13)21-17)22(4,18-2)19-3/h9-11,14H,5-8,12H2,1-4H3
InChIKeyJFBGBFCULVXNIS-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.07
Rot. Bonds4

About (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane

(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane (PubChem CID 164816144) has the molecular formula C17H26O4Si and a molecular weight of 322.48 g/mol. Its IUPAC name is (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane.

Molecular Properties

Compound Name(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane
PubChem CID164816144
Molecular FormulaC17H26O4Si
Molecular Weight322.48 g/mol
Exact Mass322.16
IUPAC Name(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane
SMILESCO[Si](C)(OC)c1ccc2c(c1)COC(C)(C1CCCC1)O2
InChIInChI=1S/C17H26O4Si/c1-17(14-7-5-6-8-14)20-12-13-11-15(9-10-16(13)21-17)22(4,18-2)19-3/h9-11,14H,5-8,12H2,1-4H3
InChIKeyJFBGBFCULVXNIS-UHFFFAOYSA-N
XLogP3.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane?
The IUPAC name of (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane (CID 164816144) is (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane.
What is the SMILES notation for (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane?
The canonical SMILES for (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane is CO[Si](C)(OC)c1ccc2c(c1)COC(C)(C1CCCC1)O2.
What is the InChIKey of (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane?
The InChIKey is JFBGBFCULVXNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4Si/c1-17(14-7-5-6-8-14)20-12-13-11-15(9-10-16(13)21-17)22(4,18-2)19-3/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane?
(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane has a molecular weight of 322.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane is sourced from PubChem (CID 164816144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).