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

C30H52OSi — CID 91743554

IUPAC[(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-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(C)CCCC(C)C
InChIInChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16+
InChIKeyGWVMYANKBNXDQN-RYQLWAFASA-N
MW456.83 g/mol
LogP9.48
Rot. Bonds8

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

[(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (PubChem CID 91743554) has the molecular formula C30H52OSi and a molecular weight of 456.83 g/mol. Its IUPAC name is [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane
PubChem CID91743554
Molecular FormulaC30H52OSi
Molecular Weight456.83 g/mol
Exact Mass456.38
IUPAC Name[(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-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(C)CCCC(C)C
InChIInChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16+
InChIKeyGWVMYANKBNXDQN-RYQLWAFASA-N
XLogP9.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane (CID 91743554) is [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-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(C)CCCC(C)C.
What is the InChIKey of [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
The InChIKey is GWVMYANKBNXDQN-RYQLWAFASA-N. The full InChI is InChI=1S/C30H52OSi/c1-22(2)11-9-12-24(4)28-18-19-29-25(13-10-20-30(28,29)5)15-16-26-21-27(17-14-23(26)3)31-32(6,7)8/h15-16,22,24,27-29H,3,9-14,17-21H2,1-2,4-8H3/b25-15+,26-16+.
What are the key properties of [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane?
[(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane has a molecular weight of 456.83 g/mol, XLogP of 9.48, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 91743554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).