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

C11H22OSe2 — CID 11186481

IUPAC(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol
SMILESCCCC[Se]/C=C(/CO)[Se]CCCC
InChIInChI=1S/C11H22OSe2/c1-3-5-7-13-10-11(9-12)14-8-6-4-2/h10,12H,3-9H2,1-2H3/b11-10-
InChIKeyBLEDOBNOEUMTSZ-KHPPLWFESA-N
MW328.22 g/mol
LogP2.67
Rot. Bonds9

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

(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol (PubChem CID 11186481) has the molecular formula C11H22OSe2 and a molecular weight of 328.22 g/mol. Its IUPAC name is (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol
PubChem CID11186481
Molecular FormulaC11H22OSe2
Molecular Weight328.22 g/mol
Exact Mass330.00
IUPAC Name(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol
SMILESCCCC[Se]/C=C(/CO)[Se]CCCC
InChIInChI=1S/C11H22OSe2/c1-3-5-7-13-10-11(9-12)14-8-6-4-2/h10,12H,3-9H2,1-2H3/b11-10-
InChIKeyBLEDOBNOEUMTSZ-KHPPLWFESA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 52.67
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(propylselanyl)prop-2-en-1-ol
CID 100987304
(1Z)-1,2-bis(butylselanyl)penta-1,4-diene
CID 15325789
(Z)-1-butylselanyl-2-butylsulfanyldodec-1-ene
CID 11315334
butane;ethanol;hexane
CID 174644566
methanediol;nonane
CID 159588378
Se-butyl pentaneselenoate
CID 10798996
butane;butan-1-ol
CID 19774960
1-[(E)-2-butyltellanylethenyl]selanylbutane
CID 10970072
tetrakis(butan-1-ol);propane;titanium
CID 174520119
tris(butan-1-ol);titanium;bromide
CID 20523364
1-pentylselanylpentane
CID 14123296
tetrakis(butan-1-ol);titanium;zirconium
CID 158276208

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol (CID 11186481) is (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol is CCCC[Se]/C=C(/CO)[Se]CCCC.
What is the InChIKey of (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol?
The InChIKey is BLEDOBNOEUMTSZ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H22OSe2/c1-3-5-7-13-10-11(9-12)14-8-6-4-2/h10,12H,3-9H2,1-2H3/b11-10-.
What are the key properties of (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol?
(Z)-2,3-bis(butylselanyl)prop-2-en-1-ol has a molecular weight of 328.22 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(butylselanyl)prop-2-en-1-ol is sourced from PubChem (CID 11186481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).