tetradecane-3,6,9,12-tetrol

C14H30O4 — CID 57081340

IUPACtetradecane-3,6,9,12-tetrol
SMILESCCC(O)CCC(O)CCC(O)CCC(O)CC
InChIInChI=1S/C14H30O4/c1-3-11(15)5-7-13(17)9-10-14(18)8-6-12(16)4-2/h11-18H,3-10H2,1-2H3
InChIKeyDITVSLRDOHXSLB-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.59
Rot. Bonds11

About tetradecane-3,6,9,12-tetrol

tetradecane-3,6,9,12-tetrol (PubChem CID 57081340) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is tetradecane-3,6,9,12-tetrol.

Molecular Properties

Compound Nametetradecane-3,6,9,12-tetrol
PubChem CID57081340
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Nametetradecane-3,6,9,12-tetrol
SMILESCCC(O)CCC(O)CCC(O)CCC(O)CC
InChIInChI=1S/C14H30O4/c1-3-11(15)5-7-13(17)9-10-14(18)8-6-12(16)4-2/h11-18H,3-10H2,1-2H3
InChIKeyDITVSLRDOHXSLB-UHFFFAOYSA-N
XLogP1.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

undecane-3,6,9-triol
CID 57025994
hexan-3-ol
CID 12178
nonane-3,7-diol
CID 22141483
pentan-3-ol
CID 11428
hexan-3-ol;λ2-plumbane
CID 174675580
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(3R,9S)-6,6-dimethylundecane-3,9-diol
CID 89346944
octane-2,3,6-triol
CID 90779093
icosane-3,10-diol
CID 141217833
pentan-3-ol;dihydrochloride
CID 141116397
bis(3,6-dihydroxyoctyl) carbonate
CID 146442796
non-8-yne-3,6-diol
CID 141036935

Frequently Asked Questions

What is the IUPAC name of tetradecane-3,6,9,12-tetrol?
The IUPAC name of tetradecane-3,6,9,12-tetrol (CID 57081340) is tetradecane-3,6,9,12-tetrol.
What is the SMILES notation for tetradecane-3,6,9,12-tetrol?
The canonical SMILES for tetradecane-3,6,9,12-tetrol is CCC(O)CCC(O)CCC(O)CCC(O)CC.
What is the InChIKey of tetradecane-3,6,9,12-tetrol?
The InChIKey is DITVSLRDOHXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-3-11(15)5-7-13(17)9-10-14(18)8-6-12(16)4-2/h11-18H,3-10H2,1-2H3.
What are the key properties of tetradecane-3,6,9,12-tetrol?
tetradecane-3,6,9,12-tetrol has a molecular weight of 262.39 g/mol, XLogP of 1.59, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane-3,6,9,12-tetrol is sourced from PubChem (CID 57081340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).