alumane;cyclohex-2-ene-1-carboxylic acid

C7H13AlO2 — CID 173230504

IUPACalumane;cyclohex-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CCCC1.[AlH3]
InChIInChI=1S/C7H10O2.Al.3H/c8-7(9)6-4-2-1-3-5-6;;;;/h2,4,6H,1,3,5H2,(H,8,9);;;;
InChIKeyBXJOVXWQRGPTPH-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.24
Rot. Bonds1

About alumane;cyclohex-2-ene-1-carboxylic acid

alumane;cyclohex-2-ene-1-carboxylic acid (PubChem CID 173230504) has the molecular formula C7H13AlO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is alumane;cyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Namealumane;cyclohex-2-ene-1-carboxylic acid
PubChem CID173230504
Molecular FormulaC7H13AlO2
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Namealumane;cyclohex-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CCCC1.[AlH3]
InChIInChI=1S/C7H10O2.Al.3H/c8-7(9)6-4-2-1-3-5-6;;;;/h2,4,6H,1,3,5H2,(H,8,9);;;;
InChIKeyBXJOVXWQRGPTPH-UHFFFAOYSA-N
XLogP0.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173230696
CID 173230696
cyclohept-2-ene-1-carboxylic acid
CID 10606834
di(cyclohex-2-en-1-yl)methanone
CID 12625750
cyclohex-2-ene-1-carboxylate
CID 21218503
2-chloro-1-cyclohex-2-en-1-ylethanone
CID 141466272
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
CID 102390759
2-cyclohex-2-en-1-ylpropanedioic acid
CID 12510753
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
2-bromo-2-cyclohex-2-en-1-ylacetic acid
CID 154609477
1-cyclopent-2-en-1-ylethanone
CID 12714402
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336

Frequently Asked Questions

What is the IUPAC name of alumane;cyclohex-2-ene-1-carboxylic acid?
The IUPAC name of alumane;cyclohex-2-ene-1-carboxylic acid (CID 173230504) is alumane;cyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for alumane;cyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for alumane;cyclohex-2-ene-1-carboxylic acid is O=C(O)C1C=CCCC1.[AlH3].
What is the InChIKey of alumane;cyclohex-2-ene-1-carboxylic acid?
The InChIKey is BXJOVXWQRGPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.Al.3H/c8-7(9)6-4-2-1-3-5-6;;;;/h2,4,6H,1,3,5H2,(H,8,9);;;;.
What are the key properties of alumane;cyclohex-2-ene-1-carboxylic acid?
alumane;cyclohex-2-ene-1-carboxylic acid has a molecular weight of 156.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;cyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 173230504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).