but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol

C26H48O — CID 91182333

IUPACbut-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol
SMILESC=C.C=CC(C)(C)O.C=CC(C)(CC)CC.CC#CC.CC#CC(C)(C)C
InChIInChI=1S/C8H16.C7H12.C5H10O.C4H6.C2H4/c1-5-8(4,6-2)7-3;1-5-6-7(2,3)4;1-4-5(2,3)6;1-3-4-2;1-2/h5H,1,6-7H2,2-4H3;1-4H3;4,6H,1H2,2-3H3;1-2H3;1-2H2
InChIKeyFHWLKMJYEJVWTP-UHFFFAOYSA-N
MW376.67 g/mol
LogP7.83
Rot. Bonds4

About but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol

but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol (PubChem CID 91182333) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol.

Molecular Properties

Compound Namebut-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol
PubChem CID91182333
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Namebut-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol
SMILESC=C.C=CC(C)(C)O.C=CC(C)(CC)CC.CC#CC.CC#CC(C)(C)C
InChIInChI=1S/C8H16.C7H12.C5H10O.C4H6.C2H4/c1-5-8(4,6-2)7-3;1-5-6-7(2,3)4;1-4-5(2,3)6;1-3-4-2;1-2/h5H,1,6-7H2,2-4H3;1-4H3;4,6H,1H2,2-3H3;1-2H3;1-2H2
InChIKeyFHWLKMJYEJVWTP-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol?
The IUPAC name of but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol (CID 91182333) is but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol.
What is the SMILES notation for but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol?
The canonical SMILES for but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol is C=C.C=CC(C)(C)O.C=CC(C)(CC)CC.CC#CC.CC#CC(C)(C)C.
What is the InChIKey of but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol?
The InChIKey is FHWLKMJYEJVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H12.C5H10O.C4H6.C2H4/c1-5-8(4,6-2)7-3;1-5-6-7(2,3)4;1-4-5(2,3)6;1-3-4-2;1-2/h5H,1,6-7H2,2-4H3;1-4H3;4,6H,1H2,2-3H3;1-2H3;1-2H2.
What are the key properties of but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol?
but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol has a molecular weight of 376.67 g/mol, XLogP of 7.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;4,4-dimethylpent-2-yne;ethene;3-ethyl-3-methylpent-1-ene;2-methylbut-3-en-2-ol is sourced from PubChem (CID 91182333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).