11-decyldodecane-1,1,11,12-tetrol

C22H46O4 — CID 91079492

IUPAC11-decyldodecane-1,1,11,12-tetrol
SMILESCCCCCCCCCCC(O)(CO)CCCCCCCCCC(O)O
InChIInChI=1S/C22H46O4/c1-2-3-4-5-6-9-12-15-18-22(26,20-23)19-16-13-10-7-8-11-14-17-21(24)25/h21,23-26H,2-20H2,1H3
InChIKeyGMLINDJIMQTDRO-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.06
Rot. Bonds20

About 11-decyldodecane-1,1,11,12-tetrol

11-decyldodecane-1,1,11,12-tetrol (PubChem CID 91079492) has the molecular formula C22H46O4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 11-decyldodecane-1,1,11,12-tetrol.

Molecular Properties

Compound Name11-decyldodecane-1,1,11,12-tetrol
PubChem CID91079492
Molecular FormulaC22H46O4
Molecular Weight374.61 g/mol
Exact Mass374.34
IUPAC Name11-decyldodecane-1,1,11,12-tetrol
SMILESCCCCCCCCCCC(O)(CO)CCCCCCCCCC(O)O
InChIInChI=1S/C22H46O4/c1-2-3-4-5-6-9-12-15-18-22(26,20-23)19-16-13-10-7-8-11-14-17-21(24)25/h21,23-26H,2-20H2,1H3
InChIKeyGMLINDJIMQTDRO-UHFFFAOYSA-N
XLogP5.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
2-ethyltridecane-1,2-diol
CID 88923996
2-heptylhexane-1,2,6-triol
CID 22481106
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
(2S)-2-(chloromethyl)tridecane-1,2-diol
CID 11265568
(2S)-2-(chloromethyl)hexadecane-1,2-diol
CID 13226351

Frequently Asked Questions

What is the IUPAC name of 11-decyldodecane-1,1,11,12-tetrol?
The IUPAC name of 11-decyldodecane-1,1,11,12-tetrol (CID 91079492) is 11-decyldodecane-1,1,11,12-tetrol.
What is the SMILES notation for 11-decyldodecane-1,1,11,12-tetrol?
The canonical SMILES for 11-decyldodecane-1,1,11,12-tetrol is CCCCCCCCCCC(O)(CO)CCCCCCCCCC(O)O.
What is the InChIKey of 11-decyldodecane-1,1,11,12-tetrol?
The InChIKey is GMLINDJIMQTDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4/c1-2-3-4-5-6-9-12-15-18-22(26,20-23)19-16-13-10-7-8-11-14-17-21(24)25/h21,23-26H,2-20H2,1H3.
What are the key properties of 11-decyldodecane-1,1,11,12-tetrol?
11-decyldodecane-1,1,11,12-tetrol has a molecular weight of 374.61 g/mol, XLogP of 5.06, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decyldodecane-1,1,11,12-tetrol is sourced from PubChem (CID 91079492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).