decane-3,4,8-triol

C10H22O3 — CID 57273849

IUPACdecane-3,4,8-triol
SMILESCCC(O)CCCC(O)C(O)CC
InChIInChI=1S/C10H22O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h8-13H,3-7H2,1-2H3
InChIKeyPPISRRZNKUMMQH-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.06
Rot. Bonds7

About decane-3,4,8-triol

decane-3,4,8-triol (PubChem CID 57273849) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is decane-3,4,8-triol.

Molecular Properties

Compound Namedecane-3,4,8-triol
PubChem CID57273849
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Namedecane-3,4,8-triol
SMILESCCC(O)CCCC(O)C(O)CC
InChIInChI=1S/C10H22O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h8-13H,3-7H2,1-2H3
InChIKeyPPISRRZNKUMMQH-UHFFFAOYSA-N
XLogP1.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

nonane-3,7-diol
CID 22141483
(3S,4S)-octane-3,4-diol
CID 132990515
octadecane-5,9,10,14-tetrol
CID 123917796
7-methylnonan-3-ol
CID 64515833
9-sulfanylnonan-3-ol
CID 91250076
heptane-3,4-diol;heptane-3,5-diol
CID 159964134
icosan-3-ol
CID 14940768
(5R)-heptane-1,5-diol
CID 170849468
ethane;heptan-3-ol;yttrium
CID 178141983
potassium [(5S,6R)-5,6-dihydroxyoctyl]-trifluoroboranuide
CID 23666197
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994

Frequently Asked Questions

What is the IUPAC name of decane-3,4,8-triol?
The IUPAC name of decane-3,4,8-triol (CID 57273849) is decane-3,4,8-triol.
What is the SMILES notation for decane-3,4,8-triol?
The canonical SMILES for decane-3,4,8-triol is CCC(O)CCCC(O)C(O)CC.
What is the InChIKey of decane-3,4,8-triol?
The InChIKey is PPISRRZNKUMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-3-8(11)6-5-7-10(13)9(12)4-2/h8-13H,3-7H2,1-2H3.
What are the key properties of decane-3,4,8-triol?
decane-3,4,8-triol has a molecular weight of 190.28 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane-3,4,8-triol is sourced from PubChem (CID 57273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).