[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane

C18H30Si — CID 51349625

IUPAC[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane
SMILESCC(=C=C[Si](C)(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30Si/c1-14(5-6-19(2,3)4)10-18-11-15-7-16(12-18)9-17(8-15)13-18/h6,15-17H,7-13H2,1-4H3
InChIKeyLWQHIXVSJSBZOG-UHFFFAOYSA-N
MW274.52 g/mol
LogP5.57
Rot. Bonds3

About [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane

[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane (PubChem CID 51349625) has the molecular formula C18H30Si and a molecular weight of 274.52 g/mol. Its IUPAC name is [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane
PubChem CID51349625
Molecular FormulaC18H30Si
Molecular Weight274.52 g/mol
Exact Mass274.21
IUPAC Name[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane
SMILESCC(=C=C[Si](C)(C)C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30Si/c1-14(5-6-19(2,3)4)10-18-11-15-7-16(12-18)9-17(8-15)13-18/h6,15-17H,7-13H2,1-4H3
InChIKeyLWQHIXVSJSBZOG-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.57
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

5-(2-Adamantylidene)penta-1,2,3,4-tetraenyl-triethylsilane
CID 12740719
2-(1-Adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone
CID 14451181
1-Hex-1-en-2-yladamantane
CID 17753597
1-(2-Methyl-penta-2,3-dienyl)-adamantane
CID 584805
2-[3-(3-Ethenyl-1-adamantyl)-1-adamantyl]ethenyl-trimethylsilane
CID 57934742
1-Methyl-3-(3-methylbut-3-en-2-yl)adamantane
CID 123369288
1-Adamantyl-but-1-enyl-dimethylsilane
CID 139918429
1-Adamantyl-dimethyl-pent-1-enylsilane
CID 139918431
1-Adamantyl-hept-1-enyl-dimethylsilane
CID 139918442
1-Adamantyl-dec-1-enyl-dimethylsilane
CID 139918446
1-Adamantyl-dimethyl-oct-1-enylsilane
CID 139918451
1-Adamantyl-hex-1-enyl-dimethylsilane
CID 139918453

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane?
The IUPAC name of [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane (CID 51349625) is [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane.
What is the SMILES notation for [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane?
The canonical SMILES for [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane is CC(=C=C[Si](C)(C)C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane?
The InChIKey is LWQHIXVSJSBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Si/c1-14(5-6-19(2,3)4)10-18-11-15-7-16(12-18)9-17(8-15)13-18/h6,15-17H,7-13H2,1-4H3.
What are the key properties of [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane?
[4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane has a molecular weight of 274.52 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane is sourced from PubChem (CID 51349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).