(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol

C32H62O3Si2 — CID 10962657

IUPAC(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol
SMILESC=C/C(=C\[C@@H](O)[C@@H]1CCC(C)=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H62O3Si2/c1-16-27(22-35-37(23(2)3,24(4)5)25(6)7)21-30(33)29-18-17-26(8)28(32(29,12)13)19-20-34-36(14,15)31(9,10)11/h16,21,23-25,29-30,33H,1,17-20,22H2,2-15H3/b27-21+/t29-,30+/m0/s1
InChIKeyMKBKCRLYECAMNP-LTDDQNDFSA-N
MW551.02 g/mol
LogP9.82
Rot. Bonds13

About (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol

(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol (PubChem CID 10962657) has the molecular formula C32H62O3Si2 and a molecular weight of 551.02 g/mol. Its IUPAC name is (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol
PubChem CID10962657
Molecular FormulaC32H62O3Si2
Molecular Weight551.02 g/mol
Exact Mass550.42
IUPAC Name(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol
SMILESC=C/C(=C\[C@@H](O)[C@@H]1CCC(C)=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H62O3Si2/c1-16-27(22-35-37(23(2)3,24(4)5)25(6)7)21-30(33)29-18-17-26(8)28(32(29,12)13)19-20-34-36(14,15)31(9,10)11/h16,21,23-25,29-30,33H,1,17-20,22H2,2-15H3/b27-21+/t29-,30+/m0/s1
InChIKeyMKBKCRLYECAMNP-LTDDQNDFSA-N
XLogP9.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 59.82
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol with MolForge

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Related Compounds

Lutein A
CID 5281243
Xanthophyll
CID 5368396
Lutein B/Calthaxanthin/3'-Epilutein
CID 10210008
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 25245095
Lutein D
CID 16061196
Loroxanthin
CID 16061271
9-cis-Lutein
CID 131801655
9'-cis-Lutein
CID 131801656
Dihydrolutein
CID 21773685
(3R,3'R,6S)-4,5-Didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
CID 448437
Lutein ester
CID 6433159
CID 24728610
CID 24728610

Frequently Asked Questions

What is the IUPAC name of (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol?
The IUPAC name of (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol (CID 10962657) is (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol?
The canonical SMILES for (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol is C=C/C(=C\[C@@H](O)[C@@H]1CCC(C)=C(CCO[Si](C)(C)C(C)(C)C)C1(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol?
The InChIKey is MKBKCRLYECAMNP-LTDDQNDFSA-N. The full InChI is InChI=1S/C32H62O3Si2/c1-16-27(22-35-37(23(2)3,24(4)5)25(6)7)21-30(33)29-18-17-26(8)28(32(29,12)13)19-20-34-36(14,15)31(9,10)11/h16,21,23-25,29-30,33H,1,17-20,22H2,2-15H3/b27-21+/t29-,30+/m0/s1.
What are the key properties of (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol?
(1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol has a molecular weight of 551.02 g/mol, XLogP of 9.82, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-1-[(1R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-3-[tri(propan-2-yl)silyloxymethyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 10962657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).