[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane

C45H84O2Si2 — CID 135008579

IUPAC[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C45H84O2Si2/c1-30(2)20-18-21-37(15)42-25-26-43-39(22-19-27-45(42,43)17)23-24-40-28-41(46-48(31(3)4,32(5)6)33(7)8)29-44(38(40)16)47-49(34(9)10,35(11)12)36(13)14/h23-24,30-37,41-44H,16,18-22,25-29H2,1-15,17H3/b39-23+,40-24-/t37-,41-,42-,43+,44+,45-/m1/s1
InChIKeyHRJNNZRCFLNFTG-PCWFEIMNSA-N
MW713.34 g/mol
LogP14.99
Rot. Bonds16

About [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 135008579) has the molecular formula C45H84O2Si2 and a molecular weight of 713.34 g/mol. Its IUPAC name is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane
PubChem CID135008579
Molecular FormulaC45H84O2Si2
Molecular Weight713.34 g/mol
Exact Mass712.60
IUPAC Name[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C45H84O2Si2/c1-30(2)20-18-21-37(15)42-25-26-43-39(22-19-27-45(42,43)17)23-24-40-28-41(46-48(31(3)4,32(5)6)33(7)8)29-44(38(40)16)47-49(34(9)10,35(11)12)36(13)14/h23-24,30-37,41-44H,16,18-22,25-29H2,1-15,17H3/b39-23+,40-24-/t37-,41-,42-,43+,44+,45-/m1/s1
InChIKeyHRJNNZRCFLNFTG-PCWFEIMNSA-N
XLogP14.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.34
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane (CID 135008579) is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane is C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?
The InChIKey is HRJNNZRCFLNFTG-PCWFEIMNSA-N. The full InChI is InChI=1S/C45H84O2Si2/c1-30(2)20-18-21-37(15)42-25-26-43-39(22-19-27-45(42,43)17)23-24-40-28-41(46-48(31(3)4,32(5)6)33(7)8)29-44(38(40)16)47-49(34(9)10,35(11)12)36(13)14/h23-24,30-37,41-44H,16,18-22,25-29H2,1-15,17H3/b39-23+,40-24-/t37-,41-,42-,43+,44+,45-/m1/s1.
What are the key properties of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?
[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 713.34 g/mol, XLogP of 14.99, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135008579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).