butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride

C14H20ClHfO-3 — CID 160517150

IUPACbutan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride
SMILESCCCCO.[Cl-].[Hf].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H10O.ClH.Hf/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;5H,2-4H2,1H3;1H;/q2*-1;;;/p-1
InChIKeyCMVKBCRJMMNPFZ-UHFFFAOYSA-M
MW418.26 g/mol
LogP0.59
Rot. Bonds2

About butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride

butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride (PubChem CID 160517150) has the molecular formula C14H20ClHfO-3 and a molecular weight of 418.26 g/mol. Its IUPAC name is butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride.

Molecular Properties

Compound Namebutan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride
PubChem CID160517150
Molecular FormulaC14H20ClHfO-3
Molecular Weight418.26 g/mol
Exact Mass419.07
IUPAC Namebutan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride
SMILESCCCCO.[Cl-].[Hf].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H10O.ClH.Hf/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;5H,2-4H2,1H3;1H;/q2*-1;;;/p-1
InChIKeyCMVKBCRJMMNPFZ-UHFFFAOYSA-M
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
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 butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride?
The IUPAC name of butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride (CID 160517150) is butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride.
What is the SMILES notation for butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride?
The canonical SMILES for butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride is CCCCO.[Cl-].[Hf].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride?
The InChIKey is CMVKBCRJMMNPFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.C4H10O.ClH.Hf/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;5H,2-4H2,1H3;1H;/q2*-1;;;/p-1.
What are the key properties of butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride?
butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride has a molecular weight of 418.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;bis(cyclopenta-1,3-diene);hafnium;chloride is sourced from PubChem (CID 160517150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).