alumane;undec-10-enoic acid;hydrochloride

C11H24AlClO2 — CID 175378056

IUPACalumane;undec-10-enoic acid;hydrochloride
SMILESC=CCCCCCCCCC(=O)O.Cl.[AlH3]
InChIInChI=1S/C11H20O2.Al.ClH.3H/c1-2-3-4-5-6-7-8-9-10-11(12)13;;;;;/h2H,1,3-10H2,(H,12,13);;1H;;;
InChIKeyRTYYYPGSMMWQTB-UHFFFAOYSA-N
MW250.75 g/mol
LogP2.62
Rot. Bonds9

About alumane;undec-10-enoic acid;hydrochloride

alumane;undec-10-enoic acid;hydrochloride (PubChem CID 175378056) has the molecular formula C11H24AlClO2 and a molecular weight of 250.75 g/mol. Its IUPAC name is alumane;undec-10-enoic acid;hydrochloride.

Molecular Properties

Compound Namealumane;undec-10-enoic acid;hydrochloride
PubChem CID175378056
Molecular FormulaC11H24AlClO2
Molecular Weight250.75 g/mol
Exact Mass250.13
IUPAC Namealumane;undec-10-enoic acid;hydrochloride
SMILESC=CCCCCCCCCC(=O)O.Cl.[AlH3]
InChIInChI=1S/C11H20O2.Al.ClH.3H/c1-2-3-4-5-6-7-8-9-10-11(12)13;;;;;/h2H,1,3-10H2,(H,12,13);;1H;;;
InChIKeyRTYYYPGSMMWQTB-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
dec-1-ene;dec-9-enoic acid
CID 87497067
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729
buta-1,3-diene;decanedioic acid
CID 87614862
heptadeca-12,16-dienoic acid
CID 91393607
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798

Frequently Asked Questions

What is the IUPAC name of alumane;undec-10-enoic acid;hydrochloride?
The IUPAC name of alumane;undec-10-enoic acid;hydrochloride (CID 175378056) is alumane;undec-10-enoic acid;hydrochloride.
What is the SMILES notation for alumane;undec-10-enoic acid;hydrochloride?
The canonical SMILES for alumane;undec-10-enoic acid;hydrochloride is C=CCCCCCCCCC(=O)O.Cl.[AlH3].
What is the InChIKey of alumane;undec-10-enoic acid;hydrochloride?
The InChIKey is RTYYYPGSMMWQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.Al.ClH.3H/c1-2-3-4-5-6-7-8-9-10-11(12)13;;;;;/h2H,1,3-10H2,(H,12,13);;1H;;;.
What are the key properties of alumane;undec-10-enoic acid;hydrochloride?
alumane;undec-10-enoic acid;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;undec-10-enoic acid;hydrochloride is sourced from PubChem (CID 175378056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).