(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol

C10H22O2 — CID 87765232

IUPAC(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol
SMILESCC[C@@](C)(O)CCOCC(C)C
InChIInChI=1S/C10H22O2/c1-5-10(4,11)6-7-12-8-9(2)3/h9,11H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyMYGZLXHXRBGBEB-SNVBAGLBSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds6

About (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol

(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol (PubChem CID 87765232) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol
PubChem CID87765232
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol
SMILESCC[C@@](C)(O)CCOCC(C)C
InChIInChI=1S/C10H22O2/c1-5-10(4,11)6-7-12-8-9(2)3/h9,11H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyMYGZLXHXRBGBEB-SNVBAGLBSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol?
The IUPAC name of (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol (CID 87765232) is (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol.
What is the SMILES notation for (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol?
The canonical SMILES for (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol is CC[C@@](C)(O)CCOCC(C)C.
What is the InChIKey of (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol?
The InChIKey is MYGZLXHXRBGBEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-10(4,11)6-7-12-8-9(2)3/h9,11H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol?
(3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(2-methylpropoxy)pentan-3-ol is sourced from PubChem (CID 87765232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).