trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane

C20H38O2Si — CID 10497259

IUPACtrimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
SMILESCC1(C)COC(C)(CC[C@@]2(C)CCCC/C2=C\[Si](C)(C)C)OC1
InChIInChI=1S/C20H38O2Si/c1-18(2)15-21-20(4,22-16-18)13-12-19(3)11-9-8-10-17(19)14-23(5,6)7/h14H,8-13,15-16H2,1-7H3/b17-14+/t19-/m1/s1
InChIKeyBPSITIRYVSYNBP-DQSGYLJSSA-N
MW338.61 g/mol
LogP5.94
Rot. Bonds4

About trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane

trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane (PubChem CID 10497259) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
PubChem CID10497259
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametrimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
SMILESCC1(C)COC(C)(CC[C@@]2(C)CCCC/C2=C\[Si](C)(C)C)OC1
InChIInChI=1S/C20H38O2Si/c1-18(2)15-21-20(4,22-16-18)13-12-19(3)11-9-8-10-17(19)14-23(5,6)7/h14H,8-13,15-16H2,1-7H3/b17-14+/t19-/m1/s1
InChIKeyBPSITIRYVSYNBP-DQSGYLJSSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
CID 134899913
[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 11381295
[(Z)-[2-(2-ethyl-1,3-dioxan-2-yl)cyclohexylidene]methyl]silane
CID 173372066
[2-(2-Ethyl-1,3-dioxan-2-yl)cyclohexylidene]methylsilane
CID 173372068
3,3-Dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undecane
CID 101032014
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 101130873

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?
The IUPAC name of trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane (CID 10497259) is trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane.
What is the SMILES notation for trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?
The canonical SMILES for trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane is CC1(C)COC(C)(CC[C@@]2(C)CCCC/C2=C\[Si](C)(C)C)OC1.
What is the InChIKey of trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?
The InChIKey is BPSITIRYVSYNBP-DQSGYLJSSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-18(2)15-21-20(4,22-16-18)13-12-19(3)11-9-8-10-17(19)14-23(5,6)7/h14H,8-13,15-16H2,1-7H3/b17-14+/t19-/m1/s1.
What are the key properties of trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?
trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane has a molecular weight of 338.61 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane is sourced from PubChem (CID 10497259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).