(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol

C10H22O2 — CID 59039431

IUPAC(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
SMILESCC[C@@](OC)(C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-7-10(12-6,8(2)3)9(4,5)11/h8,11H,7H2,1-6H3/t10-/m1/s1
InChIKeyXWCGUNCRDIOUFW-SNVBAGLBSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds4

About (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol

(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol (PubChem CID 59039431) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
PubChem CID59039431
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
SMILESCC[C@@](OC)(C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-7-10(12-6,8(2)3)9(4,5)11/h8,11H,7H2,1-6H3/t10-/m1/s1
InChIKeyXWCGUNCRDIOUFW-SNVBAGLBSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

(2R)-2-methoxy-3,3-dimethyl-2-propan-2-ylpentan-1-ol
CID 59039602
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
2-methylpentane-3,3-diol
CID 87103548
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
1,1-dimethoxypropan-1-ol;methane
CID 157160152
4-ethyl-4-methoxy-5-methylhexan-3-ol
CID 23385015
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylbutan-2-ol
CID 65108055

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol?
The IUPAC name of (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol (CID 59039431) is (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol is CC[C@@](OC)(C(C)C)C(C)(C)O.
What is the InChIKey of (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol?
The InChIKey is XWCGUNCRDIOUFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22O2/c1-7-10(12-6,8(2)3)9(4,5)11/h8,11H,7H2,1-6H3/t10-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol?
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 59039431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).