(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol

C30H54O4Si2 — CID 10875161

IUPAC(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)[C@](O)([C@@H](O)c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C30H54O4Si2/c1-22-18-19-30(32,29(8,9)25(22)21-34-36(12,13)28(5,6)7)26(31)24-17-15-14-16-23(24)20-33-35(10,11)27(2,3)4/h14-17,26,31-32H,18-21H2,1-13H3/t26-,30+/m0/s1
InChIKeyBQHSMPWQCOBVOS-FREGXXQWSA-N
MW534.93 g/mol
LogP8.13
Rot. Bonds8

About (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol

(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol (PubChem CID 10875161) has the molecular formula C30H54O4Si2 and a molecular weight of 534.93 g/mol. Its IUPAC name is (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
PubChem CID10875161
Molecular FormulaC30H54O4Si2
Molecular Weight534.93 g/mol
Exact Mass534.36
IUPAC Name(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)[C@](O)([C@@H](O)c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C30H54O4Si2/c1-22-18-19-30(32,29(8,9)25(22)21-34-36(12,13)28(5,6)7)26(31)24-17-15-14-16-23(24)20-33-35(10,11)27(2,3)4/h14-17,26,31-32H,18-21H2,1-13H3/t26-,30+/m0/s1
InChIKeyBQHSMPWQCOBVOS-FREGXXQWSA-N
XLogP8.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.93
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol with MolForge

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Related Compounds

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
(1S,2R)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-(2-methoxypropan-2-yloxy)-1-(6,6,8-trimethyl-1,4-dithiaspiro[4.5]dec-7-en-7-yl)ethanol
CID 11114461
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
ditert-butyl [2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl phosphate
CID 168825886
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
(E)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(trimethylsilylmethyl)methanimine
CID 14687071
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(dibromomethyl)cyclohex-2-en-1-ol
CID 101044260
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,3-trimethyl-4-(2-sulfinohydrazinyl)cyclohexa-1,4-diene
CID 90961507
tert-butyl-[[2-[(Z)-2-(2-ethynylphenyl)ethenyl]phenyl]methoxy]-dimethylsilane
CID 11110861

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The IUPAC name of (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol (CID 10875161) is (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol is CC1=C(CO[Si](C)(C)C(C)(C)C)C(C)(C)[C@](O)([C@@H](O)c2ccccc2CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The InChIKey is BQHSMPWQCOBVOS-FREGXXQWSA-N. The full InChI is InChI=1S/C30H54O4Si2/c1-22-18-19-30(32,29(8,9)25(22)21-34-36(12,13)28(5,6)7)26(31)24-17-15-14-16-23(24)20-33-35(10,11)27(2,3)4/h14-17,26,31-32H,18-21H2,1-13H3/t26-,30+/m0/s1.
What are the key properties of (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
(1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol has a molecular weight of 534.93 g/mol, XLogP of 8.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-hydroxymethyl]-2,2,4-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 10875161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).