(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol

C21H44O2Si2 — CID 11058109

IUPAC(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol
SMILESCC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-15(2)25(16(3)4,17(5)6)23-14-21(8)13-18(7)19(12-20(21)22)24(9,10)11/h13,15-17,19-20,22H,12,14H2,1-11H3/t19-,20-,21+/m0/s1
InChIKeyDEQSDZLVNADUJJ-PCCBWWKXSA-N
MW384.75 g/mol
LogP6.60
Rot. Bonds7

About (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol

(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol (PubChem CID 11058109) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol
PubChem CID11058109
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Name(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol
SMILESCC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C[C@@H]1[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-15(2)25(16(3)4,17(5)6)23-14-21(8)13-18(7)19(12-20(21)22)24(9,10)11/h13,15-17,19-20,22H,12,14H2,1-11H3/t19-,20-,21+/m0/s1
InChIKeyDEQSDZLVNADUJJ-PCCBWWKXSA-N
XLogP6.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
[(1R,2R)-3-methyl-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961479
(1R,6R)-4-tert-butyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984257
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(1S,2R)-3-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-2-methyl-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636581
3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-1-methyl-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636586
CID 69233361
CID 69233361
(3R,4S,5Z,8S,9R,10R,11S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13-diene-1,11-diol
CID 89359710
1-[Tert-butyl(dimethyl)silyl]oxy-4,4,6,8,12-pentamethylheptadeca-12,16-dien-7-ol
CID 153722782
(Z)-20-dimethylsilyloxy-21,21-dimethyldocos-8-en-1-ol
CID 174214951
(2S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol
CID 9972714
cis-(1R,2R,6Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethylidene)-2-methylcyclohexan-1-ol
CID 10063395

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol?
The IUPAC name of (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol (CID 11058109) is (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol is CC1=C[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)C[C@@H]1[Si](C)(C)C.
What is the InChIKey of (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol?
The InChIKey is DEQSDZLVNADUJJ-PCCBWWKXSA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-15(2)25(16(3)4,17(5)6)23-14-21(8)13-18(7)19(12-20(21)22)24(9,10)11/h13,15-17,19-20,22H,12,14H2,1-11H3/t19-,20-,21+/m0/s1.
What are the key properties of (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol?
(1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol has a molecular weight of 384.75 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2,4-dimethyl-5-trimethylsilyl-2-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 11058109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).