3,4-dimethyl-1-propan-2-yloxypentan-2-ol

C10H22O2 — CID 115821423

IUPAC3,4-dimethyl-1-propan-2-yloxypentan-2-ol
SMILESCC(C)OCC(O)C(C)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)9(5)10(11)6-12-8(3)4/h7-11H,6H2,1-5H3
InChIKeyFJWOZDNUPKPGLA-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.06
Rot. Bonds5

About 3,4-dimethyl-1-propan-2-yloxypentan-2-ol

3,4-dimethyl-1-propan-2-yloxypentan-2-ol (PubChem CID 115821423) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-yloxypentan-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-yloxypentan-2-ol
PubChem CID115821423
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,4-dimethyl-1-propan-2-yloxypentan-2-ol
SMILESCC(C)OCC(O)C(C)C(C)C
InChIInChI=1S/C10H22O2/c1-7(2)9(5)10(11)6-12-8(3)4/h7-11H,6H2,1-5H3
InChIKeyFJWOZDNUPKPGLA-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-1-propan-2-yloxypentan-2-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

3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
3-ethyl-1-propan-2-yloxyheptan-2-ol
CID 115821475
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
CID 174717239
(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
CID 174001748
1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
CID 112575304

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-yloxypentan-2-ol?
The IUPAC name of 3,4-dimethyl-1-propan-2-yloxypentan-2-ol (CID 115821423) is 3,4-dimethyl-1-propan-2-yloxypentan-2-ol.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-yloxypentan-2-ol?
The canonical SMILES for 3,4-dimethyl-1-propan-2-yloxypentan-2-ol is CC(C)OCC(O)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-yloxypentan-2-ol?
The InChIKey is FJWOZDNUPKPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7(2)9(5)10(11)6-12-8(3)4/h7-11H,6H2,1-5H3.
What are the key properties of 3,4-dimethyl-1-propan-2-yloxypentan-2-ol?
3,4-dimethyl-1-propan-2-yloxypentan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-yloxypentan-2-ol is sourced from PubChem (CID 115821423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).