(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol

C9H20O3 — CID 101370808

IUPAC(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
SMILESCOC(OC)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C9H20O3/c1-6(2)8(10)7(3)9(11-4)12-5/h6-10H,1-5H3/t7-,8-/m1/s1
InChIKeyLCMHCLDCFBHHNW-HTQZYQBOSA-N
MW176.26 g/mol
LogP1.26
Rot. Bonds5

About (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol

(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol (PubChem CID 101370808) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
PubChem CID101370808
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
SMILESCOC(OC)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C9H20O3/c1-6(2)8(10)7(3)9(11-4)12-5/h6-10H,1-5H3/t7-,8-/m1/s1
InChIKeyLCMHCLDCFBHHNW-HTQZYQBOSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol?
The IUPAC name of (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol (CID 101370808) is (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol.
What is the SMILES notation for (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol?
The canonical SMILES for (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol is COC(OC)[C@H](C)[C@H](O)C(C)C.
What is the InChIKey of (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol?
The InChIKey is LCMHCLDCFBHHNW-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H20O3/c1-6(2)8(10)7(3)9(11-4)12-5/h6-10H,1-5H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol?
(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol has a molecular weight of 176.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 101370808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).