[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane

C36H68O3Si3 — CID 5371828

IUPAC[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
SMILESC=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCCC2(C)C1CCC2C(CCCC(C)(C)O[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C36H68O3Si3/c1-28-18-21-32(38-41(8,9)10)26-30(28)20-19-29-16-15-25-36(4)33(29)22-23-34(36)31(27-37-40(5,6)7)17-14-24-35(2,3)39-42(11,12)13/h19-20,31-34H,1,14-18,21-27H2,2-13H3/b29-19+,30-20-
InChIKeyTZUKIDRDIKEQCR-ANMKTWKASA-N
MW633.20 g/mol
LogP11.28
Rot. Bonds13

About [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane

[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (PubChem CID 5371828) has the molecular formula C36H68O3Si3 and a molecular weight of 633.20 g/mol. Its IUPAC name is [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
PubChem CID5371828
Molecular FormulaC36H68O3Si3
Molecular Weight633.20 g/mol
Exact Mass632.45
IUPAC Name[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
SMILESC=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCCC2(C)C1CCC2C(CCCC(C)(C)O[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C36H68O3Si3/c1-28-18-21-32(38-41(8,9)10)26-30(28)20-19-29-16-15-25-36(4)33(29)22-23-34(36)31(27-37-40(5,6)7)17-14-24-35(2,3)39-42(11,12)13/h19-20,31-34H,1,14-18,21-27H2,2-13H3/b29-19+,30-20-
InChIKeyTZUKIDRDIKEQCR-ANMKTWKASA-N
XLogP11.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.20
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane with MolForge

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Related Compounds

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(1S,3Z)-3-[(2E)-2-[(1S,3aS,7aS)-1-[(2R)-2-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (CID 5371828) is [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane is C=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCCC2(C)C1CCC2C(CCCC(C)(C)O[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The InChIKey is TZUKIDRDIKEQCR-ANMKTWKASA-N. The full InChI is InChI=1S/C36H68O3Si3/c1-28-18-21-32(38-41(8,9)10)26-30(28)20-19-29-16-15-25-36(4)33(29)22-23-34(36)31(27-37-40(5,6)7)17-14-24-35(2,3)39-42(11,12)13/h19-20,31-34H,1,14-18,21-27H2,2-13H3/b29-19+,30-20-.
What are the key properties of [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
[(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane has a molecular weight of 633.20 g/mol, XLogP of 11.28, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[(2E)-2-[7a-methyl-1-[6-methyl-1,6-bis(trimethylsilyloxy)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 5371828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).