[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane

C28H46O2Si — CID 10765662

IUPAC[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane
SMILESC=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O[Si](C)(C)C)CC[C@@H]12
InChIInChI=1S/C28H46O2Si/c1-21(11-9-17-27(3,4)30-31(6,7)8)25-15-16-26-23(12-10-18-28(25,26)5)13-14-24-20-29-19-22(24)2/h10,12-14,21,25-26H,2,9,11,15-20H2,1,3-8H3/b23-13+,24-14-/t21-,25-,26+,28-/m1/s1
InChIKeyUJJCKFWDYVDELQ-ZSADQFOTSA-N
MW442.76 g/mol
LogP7.85
Rot. Bonds8

About [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane

[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane (PubChem CID 10765662) has the molecular formula C28H46O2Si and a molecular weight of 442.76 g/mol. Its IUPAC name is [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane
PubChem CID10765662
Molecular FormulaC28H46O2Si
Molecular Weight442.76 g/mol
Exact Mass442.33
IUPAC Name[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane
SMILESC=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O[Si](C)(C)C)CC[C@@H]12
InChIInChI=1S/C28H46O2Si/c1-21(11-9-17-27(3,4)30-31(6,7)8)25-15-16-26-23(12-10-18-28(25,26)5)13-14-24-20-29-19-22(24)2/h10,12-14,21,25-26H,2,9,11,15-20H2,1,3-8H3/b23-13+,24-14-/t21-,25-,26+,28-/m1/s1
InChIKeyUJJCKFWDYVDELQ-ZSADQFOTSA-N
XLogP7.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.76
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol
CID 10832991
[3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 91376278
[(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] acetate
CID 57276709
[(1S,5R)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 91329862
[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 11388487
[(6R)-6-[(1R,4E,7aR)-7a-methyl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane
CID 11442946
[(3aS,4R,6Z,7aR)-6-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,2-dimethyl-7-methylidene-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 11763738
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,6-dimethylidenecyclohexan-1-ol
CID 71525774
(1R,3aR,4S,7aR)-7a-methyl-4-[2-[(1R,5R)-2-(113C)methylidene-1-bicyclo[3.1.0]hexanyl](113C)ethynyl]-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
CID 11733443
[(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5S)-3,5-dimethyl-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
CID 158213063
trans-(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-2-methylidenecyclohexan-1-amine
CID 158213062
[(6S)-6-[(1S,3aR,4E,7aS)-4-[(2Z)-2-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101099410

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane (CID 10765662) is [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane is C=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O[Si](C)(C)C)CC[C@@H]12.
What is the InChIKey of [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane?
The InChIKey is UJJCKFWDYVDELQ-ZSADQFOTSA-N. The full InChI is InChI=1S/C28H46O2Si/c1-21(11-9-17-27(3,4)30-31(6,7)8)25-15-16-26-23(12-10-18-28(25,26)5)13-14-24-20-29-19-22(24)2/h10,12-14,21,25-26H,2,9,11,15-20H2,1,3-8H3/b23-13+,24-14-/t21-,25-,26+,28-/m1/s1.
What are the key properties of [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane?
[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane has a molecular weight of 442.76 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10765662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).