(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol

C10H22O4 — CID 58202019

IUPAC(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CC(C)(C)C
InChIInChI=1S/C10H22O4/c1-6(11)8(13)9(14)7(12)5-10(2,3)4/h6-9,11-14H,5H2,1-4H3/t6-,7+,8+,9-/m0/s1
InChIKeyRLQDXGYJWOYIKH-KDXUFGMBSA-N
MW206.28 g/mol
LogP-0.11
Rot. Bonds4

About (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol

(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol (PubChem CID 58202019) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol
PubChem CID58202019
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CC(C)(C)C
InChIInChI=1S/C10H22O4/c1-6(11)8(13)9(14)7(12)5-10(2,3)4/h6-9,11-14H,5H2,1-4H3/t6-,7+,8+,9-/m0/s1
InChIKeyRLQDXGYJWOYIKH-KDXUFGMBSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol
CID 58201913
(2R,3S,4R)-2,6,6-trimethylheptane-1,3,4-triol
CID 88965290
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
(2R,3R,4R,5S)-7,7-dimethyloctane-1,2,3,4,5-pentol;(2R,3S,4S)-2,6,6-trimethylheptane-1,3,4-triol;(2S,3R,4S,5R)-3,7,7-trimethyloctane-1,2,4,5-tetrol
CID 159414680
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
[(2R,3S)-2,3,4-trihydroxy-6,6-dimethylheptyl] 2-sulfanylpropanoate
CID 172837260
3,5,7,7-tetramethyloctan-4-ol
CID 156689232

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol (CID 58202019) is (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol is C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CC(C)(C)C.
What is the InChIKey of (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol?
The InChIKey is RLQDXGYJWOYIKH-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H22O4/c1-6(11)8(13)9(14)7(12)5-10(2,3)4/h6-9,11-14H,5H2,1-4H3/t6-,7+,8+,9-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol has a molecular weight of 206.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-7,7-dimethyloctane-2,3,4,5-tetrol is sourced from PubChem (CID 58202019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).