(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol

C9H18OSe2 — CID 100987304

IUPAC(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol
SMILESCCC[Se]/C=C(/CO)[Se]CCC
InChIInChI=1S/C9H18OSe2/c1-3-5-11-8-9(7-10)12-6-4-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyQVVIRNJVANPULW-HJWRWDBZSA-N
MW300.16 g/mol
LogP1.89
Rot. Bonds7

About (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol

(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol (PubChem CID 100987304) has the molecular formula C9H18OSe2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol
PubChem CID100987304
Molecular FormulaC9H18OSe2
Molecular Weight300.16 g/mol
Exact Mass301.97
IUPAC Name(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol
SMILESCCC[Se]/C=C(/CO)[Se]CCC
InChIInChI=1S/C9H18OSe2/c1-3-5-11-8-9(7-10)12-6-4-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyQVVIRNJVANPULW-HJWRWDBZSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.89
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

(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol
CID 11186481
(1Z)-1,2-bis(butylselanyl)penta-1,4-diene
CID 15325789
1-chloro-1-propylselanylbuta-1,3-diene
CID 71382574
butane;hydroperoxymethane
CID 142008875
ethanol;titanium
CID 25200198
hydroperoxyethane;propan-1-ol;titanium
CID 22572482
CID 171374834
CID 171374834
CID 175792645
CID 175792645
ethanol;titanium;tetrahydrochloride
CID 173320781
ethanol;sulfane;titanium
CID 174910918
butane;ethanol;hexane
CID 174644566
methanediol;nonane
CID 159588378

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol (CID 100987304) is (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol is CCC[Se]/C=C(/CO)[Se]CCC.
What is the InChIKey of (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol?
The InChIKey is QVVIRNJVANPULW-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18OSe2/c1-3-5-11-8-9(7-10)12-6-4-2/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol?
(Z)-2,3-bis(propylselanyl)prop-2-en-1-ol has a molecular weight of 300.16 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(propylselanyl)prop-2-en-1-ol is sourced from PubChem (CID 100987304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).