butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium

C28H50HfN2Si2-2 — CID 87835862

IUPACbutane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium
SMILESCCCC.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.[Hf]
InChIInChI=1S/2C12H20NSi.C4H10.Hf/c2*1-14(2,12-8-4-5-9-12)13-10-6-3-7-11-13;1-3-4-2;/h2*4,8H,3,5-7,10-11H2,1-2H3;3-4H2,1-2H3;/q2*-1;;
InChIKeyGVHVDPIBIKDVPH-UHFFFAOYSA-N
MW649.38 g/mol
LogP7.62
Rot. Bonds5

About butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium

butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium (PubChem CID 87835862) has the molecular formula C28H50HfN2Si2-2 and a molecular weight of 649.38 g/mol. Its IUPAC name is butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium.

Molecular Properties

Compound Namebutane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium
PubChem CID87835862
Molecular FormulaC28H50HfN2Si2-2
Molecular Weight649.38 g/mol
Exact Mass650.30
IUPAC Namebutane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium
SMILESCCCC.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.[Hf]
InChIInChI=1S/2C12H20NSi.C4H10.Hf/c2*1-14(2,12-8-4-5-9-12)13-10-6-3-7-11-13;1-3-4-2;/h2*4,8H,3,5-7,10-11H2,1-2H3;3-4H2,1-2H3;/q2*-1;;
InChIKeyGVHVDPIBIKDVPH-UHFFFAOYSA-N
XLogP7.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.38
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium?
The IUPAC name of butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium (CID 87835862) is butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium.
What is the SMILES notation for butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium?
The canonical SMILES for butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium is CCCC.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.C[Si](C)(C1=[C-]CC=C1)N1CCCCC1.[Hf].
What is the InChIKey of butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium?
The InChIKey is GVHVDPIBIKDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20NSi.C4H10.Hf/c2*1-14(2,12-8-4-5-9-12)13-10-6-3-7-11-13;1-3-4-2;/h2*4,8H,3,5-7,10-11H2,1-2H3;3-4H2,1-2H3;/q2*-1;;.
What are the key properties of butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium?
butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium has a molecular weight of 649.38 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(cyclopenta-1,4-dien-1-yl-dimethyl-piperidin-1-ylsilane);hafnium is sourced from PubChem (CID 87835862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).