hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene

C14H17HfO- — CID 154433040

IUPAChafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene
SMILES[CH2-]OC(C1(C)C=CC=C1)C1(C)C=CC=C1.[Hf]
InChIInChI=1S/C14H17O.Hf/c1-13(8-4-5-9-13)12(15-3)14(2)10-6-7-11-14;/h4-12H,3H2,1-2H3;/q-1;
InChIKeyWSPDJBFTLSUJOK-UHFFFAOYSA-N
MW379.78 g/mol
LogP3.43
Rot. Bonds3

About hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene

hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene (PubChem CID 154433040) has the molecular formula C14H17HfO- and a molecular weight of 379.78 g/mol. Its IUPAC name is hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namehafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene
PubChem CID154433040
Molecular FormulaC14H17HfO-
Molecular Weight379.78 g/mol
Exact Mass381.08
IUPAC Namehafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene
SMILES[CH2-]OC(C1(C)C=CC=C1)C1(C)C=CC=C1.[Hf]
InChIInChI=1S/C14H17O.Hf/c1-13(8-4-5-9-13)12(15-3)14(2)10-6-7-11-14;/h4-12H,3H2,1-2H3;/q-1;
InChIKeyWSPDJBFTLSUJOK-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene?
The IUPAC name of hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene (CID 154433040) is hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene.
What is the SMILES notation for hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene?
The canonical SMILES for hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene is [CH2-]OC(C1(C)C=CC=C1)C1(C)C=CC=C1.[Hf].
What is the InChIKey of hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene?
The InChIKey is WSPDJBFTLSUJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O.Hf/c1-13(8-4-5-9-13)12(15-3)14(2)10-6-7-11-14;/h4-12H,3H2,1-2H3;/q-1;.
What are the key properties of hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene?
hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene has a molecular weight of 379.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 154433040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).