(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'}

Analyze (2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 552141
CID 552141
CID 547959
CID 547959
CID 10910953
CID 10910953
CID 547143
CID 547143
CID 13945690
CID 13945690
CID 85626265
CID 85626265
CID 53465356
CID 53465356
CID 101370808
CID 101370808
CID 139242775
CID 139242775
CID 162402913
CID 162402913
CID 100980564
CID 100980564
CID 100980565
CID 100980565

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).