(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol

C12H26O4 — CID 59068921

IUPAC(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
SMILESCC[C@H](O)C[C@H](O)CC[C@@H](O)C[C@@H](O)CC
InChIInChI=1S/C12H26O4/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-16H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKeyZNMIPAIDKXXPBP-NNYUYHANSA-N
MW234.34 g/mol
LogP0.81
Rot. Bonds9

About (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol

(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol (PubChem CID 59068921) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol.

Molecular Properties

Compound Name(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
PubChem CID59068921
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
SMILESCC[C@H](O)C[C@H](O)CC[C@@H](O)C[C@@H](O)CC
InChIInChI=1S/C12H26O4/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-16H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1
InChIKeyZNMIPAIDKXXPBP-NNYUYHANSA-N
XLogP0.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
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

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Related Compounds

(3R,5R)-heptane-3,5-diol
CID 12641368
octane-3,5-diol;scandium
CID 164810284
nonane-3,5-diol;scandium
CID 164810293
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
4,6-dihydroxyoctanoic acid
CID 137380619
1-(propan-2-ylamino)heptane-3,5-diol
CID 171508088
1-(2,4-dihydroxyhexylsulfanyl)hexane-2,4-diol
CID 139888298
heptane-3,4-diol;heptane-3,5-diol
CID 159964134
pentan-3-ol
CID 11428
3,10-diaminododecane-5,8-diol
CID 165390918
1,1,1-trifluorohexane-2,4-diol;hydrochloride
CID 174612779

Frequently Asked Questions

What is the IUPAC name of (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol?
The IUPAC name of (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol (CID 59068921) is (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol.
What is the SMILES notation for (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol?
The canonical SMILES for (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol is CC[C@H](O)C[C@H](O)CC[C@@H](O)C[C@@H](O)CC.
What is the InChIKey of (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol?
The InChIKey is ZNMIPAIDKXXPBP-NNYUYHANSA-N. The full InChI is InChI=1S/C12H26O4/c1-3-9(13)7-11(15)5-6-12(16)8-10(14)4-2/h9-16H,3-8H2,1-2H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol?
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol has a molecular weight of 234.34 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol is sourced from PubChem (CID 59068921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).