di(cyclopenta-2,4-dien-1-yl)-ethylalumane

C12H15Al — CID 159666382

IUPACdi(cyclopenta-2,4-dien-1-yl)-ethylalumane
SMILESCC[Al](C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/2C5H5.C2H5.Al/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;
InChIKeyMTLMHOMERKDUEX-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.49
Rot. Bonds3

About di(cyclopenta-2,4-dien-1-yl)-ethylalumane

di(cyclopenta-2,4-dien-1-yl)-ethylalumane (PubChem CID 159666382) has the molecular formula C12H15Al and a molecular weight of 186.23 g/mol. Its IUPAC name is di(cyclopenta-2,4-dien-1-yl)-ethylalumane.

Molecular Properties

Compound Namedi(cyclopenta-2,4-dien-1-yl)-ethylalumane
PubChem CID159666382
Molecular FormulaC12H15Al
Molecular Weight186.23 g/mol
Exact Mass186.10
IUPAC Namedi(cyclopenta-2,4-dien-1-yl)-ethylalumane
SMILESCC[Al](C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/2C5H5.C2H5.Al/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;
InChIKeyMTLMHOMERKDUEX-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
5,6-diethylcyclohexa-1,3-diene
CID 556515
2-ethyl-1-methyl-2H-pyridine
CID 141118741
5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene
CID 141460457
5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;ethanolate;hafnium(4+)
CID 158437832
5-[(Z,3Z)-3-ethylidenehept-4-enyl]cyclopenta-1,3-diene
CID 143194650
5,6-dimethylcyclohexa-1,3-diene
CID 564578
5,6-difluorocyclohexa-1,3-diene
CID 22270273
chloro-cyclopenta-2,4-dien-1-yl-diethylgermane
CID 12596367
9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59075885
magnesium;5-ethoxycyclopenta-1,3-diene;hydride
CID 174744942

Frequently Asked Questions

What is the IUPAC name of di(cyclopenta-2,4-dien-1-yl)-ethylalumane?
The IUPAC name of di(cyclopenta-2,4-dien-1-yl)-ethylalumane (CID 159666382) is di(cyclopenta-2,4-dien-1-yl)-ethylalumane.
What is the SMILES notation for di(cyclopenta-2,4-dien-1-yl)-ethylalumane?
The canonical SMILES for di(cyclopenta-2,4-dien-1-yl)-ethylalumane is CC[Al](C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of di(cyclopenta-2,4-dien-1-yl)-ethylalumane?
The InChIKey is MTLMHOMERKDUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C2H5.Al/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H2,2H3;.
What are the key properties of di(cyclopenta-2,4-dien-1-yl)-ethylalumane?
di(cyclopenta-2,4-dien-1-yl)-ethylalumane has a molecular weight of 186.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-2,4-dien-1-yl)-ethylalumane is sourced from PubChem (CID 159666382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).