[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane

C17H32Si — CID 101077362

IUPAC[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
SMILESCC(C)(C)C1CCC(=C/C=C/C[Si](C)(C)C)CC1
InChIInChI=1S/C17H32Si/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-18(4,5)6/h7-9,16H,10-14H2,1-6H3/b8-7+,15-9-
InChIKeyODUVEZSIJSKFCN-YMOMHROCSA-N
MW264.53 g/mol
LogP6.04
Rot. Bonds3

About [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane

[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane (PubChem CID 101077362) has the molecular formula C17H32Si and a molecular weight of 264.53 g/mol. Its IUPAC name is [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
PubChem CID101077362
Molecular FormulaC17H32Si
Molecular Weight264.53 g/mol
Exact Mass264.23
IUPAC Name[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane
SMILESCC(C)(C)C1CCC(=C/C=C/C[Si](C)(C)C)CC1
InChIInChI=1S/C17H32Si/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-18(4,5)6/h7-9,16H,10-14H2,1-6H3/b8-7+,15-9-
InChIKeyODUVEZSIJSKFCN-YMOMHROCSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1,1-dimethyl-3-methylidene-2-[(3E)-3-methyl-7-methylidenenona-3,8-dienyl]cyclohexane
CID 162851588
(2R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 162866966
(2R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 163057300
1,3,3-trimethyl-2-[(E)-7-methyl-3-methylidenenon-1-enyl]cyclohexa-1,4-diene
CID 445590
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,1,3-trimethylcyclohexane
CID 5289279
2-[(1E,3E,5E,7E,9E,11E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,15,19,23-nonaenyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 171118761
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 171120018
2-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 171120084
1,3,3-trimethyl-2-[(1E,3Z,5E,9E,11E,13E)-3,7,12-trimethylpentadeca-1,3,5,9,11,13-hexaenyl]cyclohexene
CID 4369301
6-[(1E,13E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,13,17,19,23-pentaenyl]-1,5,5-trimethylcyclohexene
CID 169410412
6-[(4Z,7E,14E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-4,7,14,17,19,23-hexaenyl]-1,5,5-trimethylcyclohexene
CID 169410417
6-[(1E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,17,19,23-tetraenyl]-1,5,5-trimethylcyclohexene
CID 169410418

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane (CID 101077362) is [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane is CC(C)(C)C1CCC(=C/C=C/C[Si](C)(C)C)CC1.
What is the InChIKey of [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane?
The InChIKey is ODUVEZSIJSKFCN-YMOMHROCSA-N. The full InChI is InChI=1S/C17H32Si/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-18(4,5)6/h7-9,16H,10-14H2,1-6H3/b8-7+,15-9-.
What are the key properties of [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane?
[(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane has a molecular weight of 264.53 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-tert-butylcyclohexylidene)but-2-enyl]-trimethylsilane is sourced from PubChem (CID 101077362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).