dodecane-1,2,11,12-tetrol

C12H26O4 — CID 71392430

IUPACdodecane-1,2,11,12-tetrol
SMILESOCC(O)CCCCCCCCC(O)CO
InChIInChI=1S/C12H26O4/c13-9-11(15)7-5-3-1-2-4-6-8-12(16)10-14/h11-16H,1-10H2
InChIKeyRSAAVARFAITAFK-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.81
Rot. Bonds11

About dodecane-1,2,11,12-tetrol

dodecane-1,2,11,12-tetrol (PubChem CID 71392430) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is dodecane-1,2,11,12-tetrol.

Molecular Properties

Compound Namedodecane-1,2,11,12-tetrol
PubChem CID71392430
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Namedodecane-1,2,11,12-tetrol
SMILESOCC(O)CCCCCCCCC(O)CO
InChIInChI=1S/C12H26O4/c13-9-11(15)7-5-3-1-2-4-6-8-12(16)10-14/h11-16H,1-10H2
InChIKeyRSAAVARFAITAFK-UHFFFAOYSA-N
XLogP0.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
(2S)-24-methylpentacosane-1,2-diol
CID 162845743
octane-1,2-diol
CID 159791136
decane-1,2,8-triol
CID 88722169
tricosane-1,2-diol
CID 42607324
CID 158891282
CID 158891282
6-chlorohexane-1,2-diol
CID 87399395
(2R)-6-bromohexane-1,2-diol
CID 71426845
10,11-dihydroxyundecanenitrile
CID 121216355

Frequently Asked Questions

What is the IUPAC name of dodecane-1,2,11,12-tetrol?
The IUPAC name of dodecane-1,2,11,12-tetrol (CID 71392430) is dodecane-1,2,11,12-tetrol.
What is the SMILES notation for dodecane-1,2,11,12-tetrol?
The canonical SMILES for dodecane-1,2,11,12-tetrol is OCC(O)CCCCCCCCC(O)CO.
What is the InChIKey of dodecane-1,2,11,12-tetrol?
The InChIKey is RSAAVARFAITAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c13-9-11(15)7-5-3-1-2-4-6-8-12(16)10-14/h11-16H,1-10H2.
What are the key properties of dodecane-1,2,11,12-tetrol?
dodecane-1,2,11,12-tetrol has a molecular weight of 234.34 g/mol, XLogP of 0.81, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,2,11,12-tetrol is sourced from PubChem (CID 71392430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).