tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane

C21H42O3Si — CID 11036058

IUPACtert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(OC2CCCCO2)C1
InChIInChI=1S/C21H42O3Si/c1-16-11-12-18(14-19(16)24-20-10-8-9-13-22-20)17(2)15-23-25(6,7)21(3,4)5/h16-20H,8-15H2,1-7H3
InChIKeyVHDMHOPLCZKWCF-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.99
Rot. Bonds6

About tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane

tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane (PubChem CID 11036058) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane
PubChem CID11036058
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Nametert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(OC2CCCCO2)C1
InChIInChI=1S/C21H42O3Si/c1-16-11-12-18(14-19(16)24-20-10-8-9-13-22-20)17(2)15-23-25(6,7)21(3,4)5/h16-20H,8-15H2,1-7H3
InChIKeyVHDMHOPLCZKWCF-UHFFFAOYSA-N
XLogP5.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane
CID 18605962
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
CID 11185456
methyl 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-2-methylbut-3-enoate
CID 70450056
4-[(1R,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]butan-1-ol
CID 14410088
[2-methyl-1-[(1R,3R,4R)-3-methyl-4-(oxan-2-yloxy)cyclopentyl]propan-2-yl] acetate
CID 163849586
(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
CID 18605961
(4S,5R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-methyl-5-(oxan-2-yloxy)-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 22821529
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
1-[(2R,5aR,6S,7R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(oxan-2-yloxy)-3,5a,6,7,8,8a-hexahydro-2H-cyclopenta[b]oxepin-2-yl]ethanesulfonic acid
CID 87561375

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane (CID 11036058) is tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane is CC(CO[Si](C)(C)C(C)(C)C)C1CCC(C)C(OC2CCCCO2)C1.
What is the InChIKey of tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane?
The InChIKey is VHDMHOPLCZKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-16-11-12-18(14-19(16)24-20-10-8-9-13-22-20)17(2)15-23-25(6,7)21(3,4)5/h16-20H,8-15H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane?
tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane has a molecular weight of 370.65 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[4-methyl-3-(oxan-2-yloxy)cyclohexyl]propoxy]silane is sourced from PubChem (CID 11036058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).