undecane-3,6,9-triol

C11H24O3 — CID 57025994

IUPACundecane-3,6,9-triol
SMILESCCC(O)CCC(O)CCC(O)CC
InChIInChI=1S/C11H24O3/c1-3-9(12)5-7-11(14)8-6-10(13)4-2/h9-14H,3-8H2,1-2H3
InChIKeyGHNDBWQITTYSSW-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.45
Rot. Bonds8

About undecane-3,6,9-triol

undecane-3,6,9-triol (PubChem CID 57025994) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is undecane-3,6,9-triol.

Molecular Properties

Compound Nameundecane-3,6,9-triol
PubChem CID57025994
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Nameundecane-3,6,9-triol
SMILESCCC(O)CCC(O)CCC(O)CC
InChIInChI=1S/C11H24O3/c1-3-9(12)5-7-11(14)8-6-10(13)4-2/h9-14H,3-8H2,1-2H3
InChIKeyGHNDBWQITTYSSW-UHFFFAOYSA-N
XLogP1.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tetradecane-3,6,9,12-tetrol
CID 57081340
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 undecane-3,6,9-triol?
The IUPAC name of undecane-3,6,9-triol (CID 57025994) is undecane-3,6,9-triol.
What is the SMILES notation for undecane-3,6,9-triol?
The canonical SMILES for undecane-3,6,9-triol is CCC(O)CCC(O)CCC(O)CC.
What is the InChIKey of undecane-3,6,9-triol?
The InChIKey is GHNDBWQITTYSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-3-9(12)5-7-11(14)8-6-10(13)4-2/h9-14H,3-8H2,1-2H3.
What are the key properties of undecane-3,6,9-triol?
undecane-3,6,9-triol has a molecular weight of 204.31 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-3,6,9-triol is sourced from PubChem (CID 57025994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).