(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol

C16H30O3Si — CID 11033875

IUPAC(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol
SMILESC[C@@H]1C[C@H](O)[C@H](C[Si](C)(C)C)C12CCCC21OCCO1
InChIInChI=1S/C16H30O3Si/c1-12-10-14(17)13(11-20(2,3)4)15(12)6-5-7-16(15)18-8-9-19-16/h12-14,17H,5-11H2,1-4H3/t12-,13+,14+,15?/m1/s1
InChIKeyLQXKEVAFWLFLPE-CXJJLCSMSA-N
MW298.50 g/mol
LogP3.25
Rot. Bonds2

About (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol

(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol (PubChem CID 11033875) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol.

Molecular Properties

Compound Name(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol
PubChem CID11033875
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol
SMILESC[C@@H]1C[C@H](O)[C@H](C[Si](C)(C)C)C12CCCC21OCCO1
InChIInChI=1S/C16H30O3Si/c1-12-10-14(17)13(11-20(2,3)4)15(12)6-5-7-16(15)18-8-9-19-16/h12-14,17H,5-11H2,1-4H3/t12-,13+,14+,15?/m1/s1
InChIKeyLQXKEVAFWLFLPE-CXJJLCSMSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol?
The IUPAC name of (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol (CID 11033875) is (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol.
What is the SMILES notation for (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol?
The canonical SMILES for (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol is C[C@@H]1C[C@H](O)[C@H](C[Si](C)(C)C)C12CCCC21OCCO1.
What is the InChIKey of (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol?
The InChIKey is LQXKEVAFWLFLPE-CXJJLCSMSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12-10-14(17)13(11-20(2,3)4)15(12)6-5-7-16(15)18-8-9-19-16/h12-14,17H,5-11H2,1-4H3/t12-,13+,14+,15?/m1/s1.
What are the key properties of (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol?
(1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol has a molecular weight of 298.50 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-1-methyl-4-(trimethylsilylmethyl)-7,10-dioxadispiro[4.0.46.35]tridecan-3-ol is sourced from PubChem (CID 11033875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).