3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium

C16H32HfN2O-2 — CID 158586112

IUPAC3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium
SMILESCC[N-]CC.CC[N-]CC.OCCCC1C=CC=C1.[Hf]
InChIInChI=1S/C8H12O.2C4H10N.Hf/c9-7-3-6-8-4-1-2-5-8;2*1-3-5-4-2;/h1-2,4-5,8-9H,3,6-7H2;2*3-4H2,1-2H3;/q;2*-1;
InChIKeyQXGKPAQIGLGXMJ-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.30
Rot. Bonds7

About 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium

3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium (PubChem CID 158586112) has the molecular formula C16H32HfN2O-2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium
PubChem CID158586112
Molecular FormulaC16H32HfN2O-2
Molecular Weight446.94 g/mol
Exact Mass448.20
IUPAC Name3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium
SMILESCC[N-]CC.CC[N-]CC.OCCCC1C=CC=C1.[Hf]
InChIInChI=1S/C8H12O.2C4H10N.Hf/c9-7-3-6-8-4-1-2-5-8;2*1-3-5-4-2;/h1-2,4-5,8-9H,3,6-7H2;2*3-4H2,1-2H3;/q;2*-1;
InChIKeyQXGKPAQIGLGXMJ-UHFFFAOYSA-N
XLogP4.30
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)
CID 159962344
3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
CID 159499916
6-cyclopenta-2,4-dien-1-ylhexanoic acid
CID 12645352
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
CID 101087121
dichloro-(3-cyclopenta-2,4-dien-1-ylpropyl)-methylsilane
CID 123407802
5-(5-bromopentyl)cyclopenta-1,3-diene
CID 101201216
16-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 101474090
bis(butan-1-ol);hafnium;bis(propan-2-one)
CID 174752199
trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane
CID 130207728
diethylazanide;nickel
CID 154094168
tetrakis(diethylazanide);tantalum
CID 18421483
pentadecakis(diethylazanide);tris(niobium(5+))
CID 139131971

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium (CID 158586112) is 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium is CC[N-]CC.CC[N-]CC.OCCCC1C=CC=C1.[Hf].
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium?
The InChIKey is QXGKPAQIGLGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.2C4H10N.Hf/c9-7-3-6-8-4-1-2-5-8;2*1-3-5-4-2;/h1-2,4-5,8-9H,3,6-7H2;2*3-4H2,1-2H3;/q;2*-1;.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium?
3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium has a molecular weight of 446.94 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium is sourced from PubChem (CID 158586112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).