(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol

C15H31AsO — CID 23266634

IUPAC(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol
SMILESCCCCC[As](/C=C\C(C)(C)O)CCCCC
InChIInChI=1S/C15H31AsO/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3,4)17/h11,14,17H,5-10,12-13H2,1-4H3/b14-11-
InChIKeyATAKOYIDJVOZAF-KAMYIIQDSA-N
MW302.33 g/mol
LogP4.73
Rot. Bonds10

About (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol

(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol (PubChem CID 23266634) has the molecular formula C15H31AsO and a molecular weight of 302.33 g/mol. Its IUPAC name is (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol
PubChem CID23266634
Molecular FormulaC15H31AsO
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol
SMILESCCCCC[As](/C=C\C(C)(C)O)CCCCC
InChIInChI=1S/C15H31AsO/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3,4)17/h11,14,17H,5-10,12-13H2,1-4H3/b14-11-
InChIKeyATAKOYIDJVOZAF-KAMYIIQDSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol
CID 6273828
butane;propane-2,2-diol
CID 142587058
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
ethenol;hexane
CID 22706833
2,2-dimethylpropane;heptane
CID 144531055
butane;ethanol;hexane
CID 174644566
methanediol;nonane
CID 159588378
(E)-1-bromo-3-methyloct-1-en-3-ol
CID 13226796
3-tert-butyloct-1-en-3-ol
CID 101445482
ethenol;heptadecane
CID 158851930
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol (CID 23266634) is (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol is CCCCC[As](/C=C\C(C)(C)O)CCCCC.
What is the InChIKey of (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol?
The InChIKey is ATAKOYIDJVOZAF-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H31AsO/c1-5-7-9-12-16(13-10-8-6-2)14-11-15(3,4)17/h11,14,17H,5-10,12-13H2,1-4H3/b14-11-.
What are the key properties of (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol?
(Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol has a molecular weight of 302.33 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dipentylarsanyl-2-methylbut-3-en-2-ol is sourced from PubChem (CID 23266634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).