butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium

C30H58HfN2Si2-2 — CID 87834110

IUPACbutane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
SMILESCC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CCCC.[Hf]
InChIInChI=1S/2C13H24NSi.C4H10.Hf/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;1-3-4-2;/h2*7,9,11-12H,8H2,1-6H3;3-4H2,1-2H3;/q2*-1;;
InChIKeyDHNBDXMTOMLYEL-UHFFFAOYSA-N
MW681.47 g/mol
LogP8.88
Rot. Bonds9

About butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium

butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium (PubChem CID 87834110) has the molecular formula C30H58HfN2Si2-2 and a molecular weight of 681.47 g/mol. Its IUPAC name is butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium.

Molecular Properties

Compound Namebutane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
PubChem CID87834110
Molecular FormulaC30H58HfN2Si2-2
Molecular Weight681.47 g/mol
Exact Mass682.36
IUPAC Namebutane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
SMILESCC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CCCC.[Hf]
InChIInChI=1S/2C13H24NSi.C4H10.Hf/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;1-3-4-2;/h2*7,9,11-12H,8H2,1-6H3;3-4H2,1-2H3;/q2*-1;;
InChIKeyDHNBDXMTOMLYEL-UHFFFAOYSA-N
XLogP8.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.47
LogP ≤ 58.88
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(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?
The IUPAC name of butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium (CID 87834110) is butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium.
What is the SMILES notation for butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?
The canonical SMILES for butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium is CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CCCC.[Hf].
What is the InChIKey of butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?
The InChIKey is DHNBDXMTOMLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24NSi.C4H10.Hf/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;1-3-4-2;/h2*7,9,11-12H,8H2,1-6H3;3-4H2,1-2H3;/q2*-1;;.
What are the key properties of butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?
butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium has a molecular weight of 681.47 g/mol, XLogP of 8.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium is sourced from PubChem (CID 87834110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).