(2R,4S)-4-methylhexane-1,2,6-triol

C7H16O3 — CID 129321389

IUPAC(2R,4S)-4-methylhexane-1,2,6-triol
SMILESC[C@@H](CCO)C[C@@H](O)CO
InChIInChI=1S/C7H16O3/c1-6(2-3-8)4-7(10)5-9/h6-10H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyASIVSHMOKCMYPA-NKWVEPMBSA-N
MW148.20 g/mol
LogP-0.25
Rot. Bonds5

About (2R,4S)-4-methylhexane-1,2,6-triol

(2R,4S)-4-methylhexane-1,2,6-triol (PubChem CID 129321389) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is (2R,4S)-4-methylhexane-1,2,6-triol.

Molecular Properties

Compound Name(2R,4S)-4-methylhexane-1,2,6-triol
PubChem CID129321389
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name(2R,4S)-4-methylhexane-1,2,6-triol
SMILESC[C@@H](CCO)C[C@@H](O)CO
InChIInChI=1S/C7H16O3/c1-6(2-3-8)4-7(10)5-9/h6-10H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyASIVSHMOKCMYPA-NKWVEPMBSA-N
XLogP-0.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methylhexane-1,2,6-triol?
The IUPAC name of (2R,4S)-4-methylhexane-1,2,6-triol (CID 129321389) is (2R,4S)-4-methylhexane-1,2,6-triol.
What is the SMILES notation for (2R,4S)-4-methylhexane-1,2,6-triol?
The canonical SMILES for (2R,4S)-4-methylhexane-1,2,6-triol is C[C@@H](CCO)C[C@@H](O)CO.
What is the InChIKey of (2R,4S)-4-methylhexane-1,2,6-triol?
The InChIKey is ASIVSHMOKCMYPA-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(2-3-8)4-7(10)5-9/h6-10H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-4-methylhexane-1,2,6-triol?
(2R,4S)-4-methylhexane-1,2,6-triol has a molecular weight of 148.20 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methylhexane-1,2,6-triol is sourced from PubChem (CID 129321389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).