1-dodecyltellanyldodecane;prop-2-en-1-ol

C27H56OTe — CID 175339180

IUPAC1-dodecyltellanyldodecane;prop-2-en-1-ol
SMILESC=CCO.CCCCCCCCCCCC[Te]CCCCCCCCCCCC
InChIInChI=1S/C24H50Te.C3H6O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4/h3-24H2,1-2H3;2,4H,1,3H2
InChIKeyNVQUPOVUSNQBAZ-UHFFFAOYSA-N
MW524.34 g/mol
LogP9.53
Rot. Bonds23

About 1-dodecyltellanyldodecane;prop-2-en-1-ol

1-dodecyltellanyldodecane;prop-2-en-1-ol (PubChem CID 175339180) has the molecular formula C27H56OTe and a molecular weight of 524.34 g/mol. Its IUPAC name is 1-dodecyltellanyldodecane;prop-2-en-1-ol.

Molecular Properties

Compound Name1-dodecyltellanyldodecane;prop-2-en-1-ol
PubChem CID175339180
Molecular FormulaC27H56OTe
Molecular Weight524.34 g/mol
Exact Mass526.34
IUPAC Name1-dodecyltellanyldodecane;prop-2-en-1-ol
SMILESC=CCO.CCCCCCCCCCCC[Te]CCCCCCCCCCCC
InChIInChI=1S/C24H50Te.C3H6O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4/h3-24H2,1-2H3;2,4H,1,3H2
InChIKeyNVQUPOVUSNQBAZ-UHFFFAOYSA-N
XLogP9.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.34
LogP ≤ 59.53
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butan-1-ol;prop-2-en-1-ol
CID 87275291
ethenol;heptadecane
CID 158851930
dec-1-ene;ethane-1,2-diol
CID 87306411
but-1-ene;ethane;nonane
CID 170645806
decane;pentan-1-ol;prop-1-ene
CID 174418987
bis(octan-1-ol);bis(prop-2-enoate);zirconium(2+)
CID 159808494
heptan-1-ol;hex-1-ene
CID 141435277
ethenol;hexane
CID 22706833
methanediol;nonane
CID 159588378
ethanol;hexadecane
CID 21185421
ethanol;bis(heptane);bis(hexane)
CID 173110983
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of 1-dodecyltellanyldodecane;prop-2-en-1-ol?
The IUPAC name of 1-dodecyltellanyldodecane;prop-2-en-1-ol (CID 175339180) is 1-dodecyltellanyldodecane;prop-2-en-1-ol.
What is the SMILES notation for 1-dodecyltellanyldodecane;prop-2-en-1-ol?
The canonical SMILES for 1-dodecyltellanyldodecane;prop-2-en-1-ol is C=CCO.CCCCCCCCCCCC[Te]CCCCCCCCCCCC.
What is the InChIKey of 1-dodecyltellanyldodecane;prop-2-en-1-ol?
The InChIKey is NVQUPOVUSNQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50Te.C3H6O/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4/h3-24H2,1-2H3;2,4H,1,3H2.
What are the key properties of 1-dodecyltellanyldodecane;prop-2-en-1-ol?
1-dodecyltellanyldodecane;prop-2-en-1-ol has a molecular weight of 524.34 g/mol, XLogP of 9.53, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyltellanyldodecane;prop-2-en-1-ol is sourced from PubChem (CID 175339180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).