alumane;octadeca-1,3,5-triene;sulfuric acid

C18H37AlO4S — CID 175434507

IUPACalumane;octadeca-1,3,5-triene;sulfuric acid
SMILESC=CC=CC=CCCCCCCCCCCCC.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/C18H32.Al.H2O4S.3H/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;;;/h3,5,7,9,11H,1,4,6,8,10,12-18H2,2H3;;(H2,1,2,3,4);;;
InChIKeyGTWMBVXVXGOHRJ-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.76
Rot. Bonds13

About alumane;octadeca-1,3,5-triene;sulfuric acid

alumane;octadeca-1,3,5-triene;sulfuric acid (PubChem CID 175434507) has the molecular formula C18H37AlO4S and a molecular weight of 376.54 g/mol. Its IUPAC name is alumane;octadeca-1,3,5-triene;sulfuric acid.

Molecular Properties

Compound Namealumane;octadeca-1,3,5-triene;sulfuric acid
PubChem CID175434507
Molecular FormulaC18H37AlO4S
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Namealumane;octadeca-1,3,5-triene;sulfuric acid
SMILESC=CC=CC=CCCCCCCCCCCCC.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/C18H32.Al.H2O4S.3H/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;;;/h3,5,7,9,11H,1,4,6,8,10,12-18H2,2H3;;(H2,1,2,3,4);;;
InChIKeyGTWMBVXVXGOHRJ-UHFFFAOYSA-N
XLogP4.76
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze alumane;octadeca-1,3,5-triene;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
nonadeca-1,3,5,7,10,12-hexaen-9-one
CID 90034448
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(3Z)-heptadeca-1,3,9-triene
CID 175589298
dioxotitanium;tetradeca-1,3-diene
CID 174751058
hexadeca-1,3,8-triene
CID 174048674

Frequently Asked Questions

What is the IUPAC name of alumane;octadeca-1,3,5-triene;sulfuric acid?
The IUPAC name of alumane;octadeca-1,3,5-triene;sulfuric acid (CID 175434507) is alumane;octadeca-1,3,5-triene;sulfuric acid.
What is the SMILES notation for alumane;octadeca-1,3,5-triene;sulfuric acid?
The canonical SMILES for alumane;octadeca-1,3,5-triene;sulfuric acid is C=CC=CC=CCCCCCCCCCCCC.O=S(=O)(O)O.[AlH3].
What is the InChIKey of alumane;octadeca-1,3,5-triene;sulfuric acid?
The InChIKey is GTWMBVXVXGOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32.Al.H2O4S.3H/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;;;/h3,5,7,9,11H,1,4,6,8,10,12-18H2,2H3;;(H2,1,2,3,4);;;.
What are the key properties of alumane;octadeca-1,3,5-triene;sulfuric acid?
alumane;octadeca-1,3,5-triene;sulfuric acid has a molecular weight of 376.54 g/mol, XLogP of 4.76, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;octadeca-1,3,5-triene;sulfuric acid is sourced from PubChem (CID 175434507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).