1-(1-hydroxydodecyldiselanyl)dodecan-1-ol

C24H50O2Se2 — CID 175435986

IUPAC1-(1-hydroxydodecyldiselanyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)[Se][Se]C(O)CCCCCCCCCCC
InChIInChI=1S/C24H50O2Se2/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyVVFGXVLYUFVWDV-UHFFFAOYSA-N
MW528.58 g/mol
LogP6.79
Rot. Bonds23

About 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol

1-(1-hydroxydodecyldiselanyl)dodecan-1-ol (PubChem CID 175435986) has the molecular formula C24H50O2Se2 and a molecular weight of 528.58 g/mol. Its IUPAC name is 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxydodecyldiselanyl)dodecan-1-ol
PubChem CID175435986
Molecular FormulaC24H50O2Se2
Molecular Weight528.58 g/mol
Exact Mass530.21
IUPAC Name1-(1-hydroxydodecyldiselanyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)[Se][Se]C(O)CCCCCCCCCCC
InChIInChI=1S/C24H50O2Se2/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyVVFGXVLYUFVWDV-UHFFFAOYSA-N
XLogP6.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

decane;dodecane-1,1-diol
CID 162011285
nonacosane-7,20-diol
CID 174949468
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
nonacosane-14,15-diol
CID 91509633
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol?
The IUPAC name of 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol (CID 175435986) is 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol.
What is the SMILES notation for 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol?
The canonical SMILES for 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol is CCCCCCCCCCCC(O)[Se][Se]C(O)CCCCCCCCCCC.
What is the InChIKey of 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol?
The InChIKey is VVFGXVLYUFVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Se2/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3.
What are the key properties of 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol?
1-(1-hydroxydodecyldiselanyl)dodecan-1-ol has a molecular weight of 528.58 g/mol, XLogP of 6.79, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxydodecyldiselanyl)dodecan-1-ol is sourced from PubChem (CID 175435986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).