(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol

C24H46O3Si2 — CID 101396371

IUPAC(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol
SMILESCC(C)=CC/C=C(\C)[C@H]1C=C(O[Si](C)(C)C)CC[C@]1(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-19(2)13-12-14-20(3)22-17-21(27-28(7,8)9)15-16-24(22,25)18-26-29(10,11)23(4,5)6/h13-14,17,22,25H,12,15-16,18H2,1-11H3/b20-14+/t22-,24+/m1/s1
InChIKeyPLBLMGOATKSUQO-ZTZJABTBSA-N
MW438.80 g/mol
LogP7.19
Rot. Bonds8

About (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol

(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol (PubChem CID 101396371) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol
PubChem CID101396371
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Name(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol
SMILESCC(C)=CC/C=C(\C)[C@H]1C=C(O[Si](C)(C)C)CC[C@]1(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-19(2)13-12-14-20(3)22-17-21(27-28(7,8)9)15-16-24(22,25)18-26-29(10,11)23(4,5)6/h13-14,17,22,25H,12,15-16,18H2,1-11H3/b20-14+/t22-,24+/m1/s1
InChIKeyPLBLMGOATKSUQO-ZTZJABTBSA-N
XLogP7.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol with MolForge

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Related Compounds

(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
CID 134945472
tert-butyl-dimethyl-[[(1S,2R)-2-[(E)-6-methylhept-2-en-2-yl]-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
CID 71177702
tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
CID 91339819
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170702889
(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 170703011
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-ol
CID 172571705
tert-butyl-dimethyl-[[(1S,2R)-2-[(E)-6-methylhept-2-en-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
CID 11475786

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol?
The IUPAC name of (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol (CID 101396371) is (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol?
The canonical SMILES for (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol is CC(C)=CC/C=C(\C)[C@H]1C=C(O[Si](C)(C)C)CC[C@]1(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol?
The InChIKey is PLBLMGOATKSUQO-ZTZJABTBSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-19(2)13-12-14-20(3)22-17-21(27-28(7,8)9)15-16-24(22,25)18-26-29(10,11)23(4,5)6/h13-14,17,22,25H,12,15-16,18H2,1-11H3/b20-14+/t22-,24+/m1/s1.
What are the key properties of (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol?
(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol has a molecular weight of 438.80 g/mol, XLogP of 7.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol is sourced from PubChem (CID 101396371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).