[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane

C19H38OSi — CID 100949303

IUPAC[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](C(C)C)CC1
InChIInChI=1S/C19H38OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3/t18-/m1/s1
InChIKeyQSPYDIDXKCGZND-GOSISDBHSA-N
MW310.60 g/mol
LogP6.91
Rot. Bonds6

About [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane

[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 100949303) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID100949303
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](C(C)C)CC1
InChIInChI=1S/C19H38OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3/t18-/m1/s1
InChIKeyQSPYDIDXKCGZND-GOSISDBHSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, [(2,6-dimethyl-1-cyclohexen-1-yl)oxy]trimethyl-
CID 11367631
[1-(2,3-Dibutylcycloprop-2-en-1-yl)cyclopropyl]oxy-tri(propan-2-yl)silane
CID 135075231
[(6S)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11310139
trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10016413
[(6R)-2,6-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 10921518
Silane, [(2-methyl-1-cyclohexen-1-yl)oxy]tris(1-methylethyl)-
CID 11076456
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
[2-Methyl-3-(4-methylpent-3-enyl)cyclopenten-1-yl]oxy-tri(propan-2-yl)silane
CID 132560954
[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
CID 134857047

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane (CID 100949303) is [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane is CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](C(C)C)CC1.
What is the InChIKey of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QSPYDIDXKCGZND-GOSISDBHSA-N. The full InChI is InChI=1S/C19H38OSi/c1-13(2)18-11-10-17(9)19(12-18)20-21(14(3)4,15(5)6)16(7)8/h13-16,18H,10-12H2,1-9H3/t18-/m1/s1.
What are the key properties of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane?
[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 310.60 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 100949303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).