(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol

C8H18O4 — CID 162402913

IUPAC(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol
SMILESCOC(OC)[C@H](O)[C@H](O)C(C)C
InChIInChI=1S/C8H18O4/c1-5(2)6(9)7(10)8(11-3)12-4/h5-10H,1-4H3/t6-,7-/m1/s1
InChIKeySUZWBWMXUWRPAE-RNFRBKRXSA-N
MW178.23 g/mol
LogP-0.02
Rot. Bonds5

About (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol

(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol (PubChem CID 162402913) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol
PubChem CID162402913
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol
SMILESCOC(OC)[C@H](O)[C@H](O)C(C)C
InChIInChI=1S/C8H18O4/c1-5(2)6(9)7(10)8(11-3)12-4/h5-10H,1-4H3/t6-,7-/m1/s1
InChIKeySUZWBWMXUWRPAE-RNFRBKRXSA-N
XLogP-0.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxyethoxymethoxy)-2-methylpentan-1-ol
CID 547959
(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
CID 101370806
(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
CID 101370808
1,1-Dibutoxy-2-methylpentane-2,4-diol
CID 91844562
1,1-Dibutoxy-2-methylpentane-2,4-diol;titanium
CID 170840899
1,4-Butanediol, 2-(1-ethoxyethoxy)-3-methyl-
CID 552093
1,1-Dimethoxy-3-methylbutan-2-ol
CID 13552781
1-(2-Ethylhexoxy)propane-1,2,3-triol
CID 17841431
2-(2-Hydroxypropoxy)propan-1-ol;2-methylpentane-1,3-diol
CID 21223163
(3R)-1-methoxy-4-methylpentane-1,3,4-triol
CID 53818471
2-[(2-Butoxy-4-hydroxy-3-methoxybutan-2-yl)oxy-pentoxymethyl]butan-1-ol
CID 53930499
2-(Methoxymethoxy)-3-methylpentan-1-ol
CID 54465931

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol?
The IUPAC name of (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol (CID 162402913) is (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol?
The canonical SMILES for (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol is COC(OC)[C@H](O)[C@H](O)C(C)C.
What is the InChIKey of (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol?
The InChIKey is SUZWBWMXUWRPAE-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18O4/c1-5(2)6(9)7(10)8(11-3)12-4/h5-10H,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol?
(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol has a molecular weight of 178.23 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol is sourced from PubChem (CID 162402913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).