(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol

C22H42O4Si — CID 135026332

IUPAC(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](OCOC)[C@](O)(CC=C(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H42O4Si/c1-16(2)11-12-22(23)19(25-15-24-8)13-18(17(3)4)14-20(22)26-27(9,10)21(5,6)7/h11,18-20,23H,3,12-15H2,1-2,4-10H3/t18-,19-,20-,22-/m1/s1
InChIKeyMAYBKYZEGOJRSG-NXLVEIQXSA-N
MW398.66 g/mol
LogP5.44
Rot. Bonds8

About (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol

(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 135026332) has the molecular formula C22H42O4Si and a molecular weight of 398.66 g/mol. Its IUPAC name is (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID135026332
Molecular FormulaC22H42O4Si
Molecular Weight398.66 g/mol
Exact Mass398.29
IUPAC Name(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](OCOC)[C@](O)(CC=C(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H42O4Si/c1-16(2)11-12-22(23)19(25-15-24-8)13-18(17(3)4)14-20(22)26-27(9,10)21(5,6)7/h11,18-20,23H,3,12-15H2,1-2,4-10H3/t18-,19-,20-,22-/m1/s1
InChIKeyMAYBKYZEGOJRSG-NXLVEIQXSA-N
XLogP5.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 135026332) is (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1C[C@@H](OCOC)[C@](O)(CC=C(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is MAYBKYZEGOJRSG-NXLVEIQXSA-N. The full InChI is InChI=1S/C22H42O4Si/c1-16(2)11-12-22(23)19(25-15-24-8)13-18(17(3)4)14-20(22)26-27(9,10)21(5,6)7/h11,18-20,23H,3,12-15H2,1-2,4-10H3/t18-,19-,20-,22-/m1/s1.
What are the key properties of (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 398.66 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)-1-(3-methylbut-2-enyl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 135026332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).