(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol

C8H18O3 — CID 101370806

IUPAC(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)C(OC)OC
InChIInChI=1S/C8H18O3/c1-5-7(9)6(2)8(10-3)11-4/h6-9H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyCYMIRGRXUOHHKN-RNFRBKRXSA-N
MW162.23 g/mol
LogP1.01
Rot. Bonds5

About (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol

(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol (PubChem CID 101370806) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
PubChem CID101370806
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)C(OC)OC
InChIInChI=1S/C8H18O3/c1-5-7(9)6(2)8(10-3)11-4/h6-9H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyCYMIRGRXUOHHKN-RNFRBKRXSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.01
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-methylpentan-3-ol?
The IUPAC name of (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol (CID 101370806) is (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol.
What is the SMILES notation for (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol?
The canonical SMILES for (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol is CC[C@@H](O)[C@@H](C)C(OC)OC.
What is the InChIKey of (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol?
The InChIKey is CYMIRGRXUOHHKN-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H18O3/c1-5-7(9)6(2)8(10-3)11-4/h6-9H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol?
(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol has a molecular weight of 162.23 g/mol, XLogP of 1.01, 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-methylpentan-3-ol is sourced from PubChem (CID 101370806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).