oxoalumane;1,2,4-tri(ethylidene)cyclohexane

C12H19AlO — CID 174960273

IUPACoxoalumane;1,2,4-tri(ethylidene)cyclohexane
SMILESCC=C1CCC(=CC)C(=CC)C1.O=[AlH]
InChIInChI=1S/C12H18.Al.O.H/c1-4-10-7-8-11(5-2)12(6-3)9-10;;;/h4-6H,7-9H2,1-3H3;;;
InChIKeyLAIDINPJTCELAV-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.24
Rot. Bonds

About oxoalumane;1,2,4-tri(ethylidene)cyclohexane

oxoalumane;1,2,4-tri(ethylidene)cyclohexane (PubChem CID 174960273) has the molecular formula C12H19AlO and a molecular weight of 206.27 g/mol. Its IUPAC name is oxoalumane;1,2,4-tri(ethylidene)cyclohexane.

Molecular Properties

Compound Nameoxoalumane;1,2,4-tri(ethylidene)cyclohexane
PubChem CID174960273
Molecular FormulaC12H19AlO
Molecular Weight206.27 g/mol
Exact Mass206.13
IUPAC Nameoxoalumane;1,2,4-tri(ethylidene)cyclohexane
SMILESCC=C1CCC(=CC)C(=CC)C1.O=[AlH]
InChIInChI=1S/C12H18.Al.O.H/c1-4-10-7-8-11(5-2)12(6-3)9-10;;;/h4-6H,7-9H2,1-3H3;;;
InChIKeyLAIDINPJTCELAV-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-di(ethylidene)cyclopropane
CID 123857340
(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913
carbon monoxide;ethylidenecyclopropane
CID 173287215
1,2-di(ethylidene)cyclooctane
CID 134898176
ethane;(1Z)-1-ethylidene-2,3-dimethylidenecyclopentane
CID 143020945
(3E,4Z)-3,4-di(ethylidene)oxane;ethane
CID 143460049
3-ethylideneoxolane
CID 123791702
(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
CID 131345602
(3Z)-3-ethylideneoxan-4-one
CID 164643553
4-ethylidene-2,3-dihydronaphthalen-1-one
CID 123395937
(4Z,6E)-6-[(2Z,5Z)-2-ethylidene-5-prop-2-enylidenecyclohexylidene]-3-methylideneocta-4,7-dien-1-ol
CID 143764449
(4Z)-4-ethylidene-2-methyl-5-oxocyclopentene-1-carbonitrile
CID 10080538

Frequently Asked Questions

What is the IUPAC name of oxoalumane;1,2,4-tri(ethylidene)cyclohexane?
The IUPAC name of oxoalumane;1,2,4-tri(ethylidene)cyclohexane (CID 174960273) is oxoalumane;1,2,4-tri(ethylidene)cyclohexane.
What is the SMILES notation for oxoalumane;1,2,4-tri(ethylidene)cyclohexane?
The canonical SMILES for oxoalumane;1,2,4-tri(ethylidene)cyclohexane is CC=C1CCC(=CC)C(=CC)C1.O=[AlH].
What is the InChIKey of oxoalumane;1,2,4-tri(ethylidene)cyclohexane?
The InChIKey is LAIDINPJTCELAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.Al.O.H/c1-4-10-7-8-11(5-2)12(6-3)9-10;;;/h4-6H,7-9H2,1-3H3;;;.
What are the key properties of oxoalumane;1,2,4-tri(ethylidene)cyclohexane?
oxoalumane;1,2,4-tri(ethylidene)cyclohexane has a molecular weight of 206.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxoalumane;1,2,4-tri(ethylidene)cyclohexane is sourced from PubChem (CID 174960273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).