(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol

C10H22O4 — CID 162985638

IUPAC(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol
SMILESC[C@H](CC[C@H](O)C(C)(C)O)[C@H](O)CO
InChIInChI=1S/C10H22O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyUZTSPRWBSITKRZ-HLTSFMKQSA-N
MW206.28 g/mol
LogP-0.11
Rot. Bonds6

About (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol

(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol (PubChem CID 162985638) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol.

Molecular Properties

Compound Name(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol
PubChem CID162985638
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol
SMILESC[C@H](CC[C@H](O)C(C)(C)O)[C@H](O)CO
InChIInChI=1S/C10H22O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyUZTSPRWBSITKRZ-HLTSFMKQSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol?
The IUPAC name of (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol (CID 162985638) is (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol.
What is the SMILES notation for (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol?
The canonical SMILES for (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol is C[C@H](CC[C@H](O)C(C)(C)O)[C@H](O)CO.
What is the InChIKey of (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol?
The InChIKey is UZTSPRWBSITKRZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H22O4/c1-7(8(12)6-11)4-5-9(13)10(2,3)14/h7-9,11-14H,4-6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol?
(2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol has a molecular weight of 206.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3,7-dimethyloctane-1,2,6,7-tetrol is sourced from PubChem (CID 162985638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).