[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane

C27H54O2Si2 — CID 134980490

IUPAC[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC1=CC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/c1-19(2)30(20(3)4,21(5)6)28-17-26-16-14-15-25(13)27(26)18-29-31(22(7)8,23(9)10)24(11)12/h14-16,19-24,26-27H,17-18H2,1-13H3/t26-,27-/m0/s1
InChIKeyPPVNAYTYYNMBJX-SVBPBHIXSA-N
MW466.90 g/mol
LogP9.12
Rot. Bonds12

About [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane

[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 134980490) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
PubChem CID134980490
Molecular FormulaC27H54O2Si2
Molecular Weight466.90 g/mol
Exact Mass466.37
IUPAC Name[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
SMILESCC1=CC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/c1-19(2)30(20(3)4,21(5)6)28-17-26-16-14-15-25(13)27(26)18-29-31(22(7)8,23(9)10)24(11)12/h14-16,19-24,26-27H,17-18H2,1-13H3/t26-,27-/m0/s1
InChIKeyPPVNAYTYYNMBJX-SVBPBHIXSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 59.12
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

(2-Methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
CID 15174762
lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane
CID 134942751
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane
CID 54533592
tert-butyl-[[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 57165253
tert-butyl-[(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
CID 57788251
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
CID 91433527
Diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane
CID 140798655
Diethoxy-[[ethoxy(dimethyl)silyl]methyl]-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silane
CID 140798658
Trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane
CID 163579598
2,3-Dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane
CID 164987021
tert-butyl-[(2S,4S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyltrideca-6,8-dien-2-yl]oxy-dimethylsilane
CID 173556357
tert-butyl-[(2S,4S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyldeca-6,8-dien-2-yl]oxy-dimethylsilane
CID 173556359

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane (CID 134980490) is [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane is CC1=CC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is PPVNAYTYYNMBJX-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H54O2Si2/c1-19(2)30(20(3)4,21(5)6)28-17-26-16-14-15-25(13)27(26)18-29-31(22(7)8,23(9)10)24(11)12/h14-16,19-24,26-27H,17-18H2,1-13H3/t26-,27-/m0/s1.
What are the key properties of [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane?
[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 466.90 g/mol, XLogP of 9.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134980490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).