2,4-dimethyl-2-(propoxymethyl)pentan-1-ol

C11H24O2 — CID 91196537

IUPAC2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
SMILESCCCOCC(C)(CO)CC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-13-9-11(4,8-12)7-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyQUUUTRIQZRSEOO-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.46
Rot. Bonds7

About 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol

2,4-dimethyl-2-(propoxymethyl)pentan-1-ol (PubChem CID 91196537) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
PubChem CID91196537
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
SMILESCCCOCC(C)(CO)CC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-13-9-11(4,8-12)7-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyQUUUTRIQZRSEOO-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.46
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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Related Compounds

2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
CID 88745272
3-methyl-2-propan-2-yl-2-(propoxymethyl)butan-1-ol
CID 141130192
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
CID 158118632
butane;methane;2-methylbutane;2-methylpropan-2-ol;2-methylprop-1-ene;bis(1-propoxypropane)
CID 162022097
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
2-(hydroxymethyl)-2-methylpropane-1,3-diol;bis(2-methylprop-2-enoic acid);1-propoxypropane
CID 173247855
4,4-dimethyl-5-propoxypentan-2-amine
CID 79570118
3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
CID 87248461
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol?
The IUPAC name of 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol (CID 91196537) is 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol.
What is the SMILES notation for 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol?
The canonical SMILES for 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol is CCCOCC(C)(CO)CC(C)C.
What is the InChIKey of 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol?
The InChIKey is QUUUTRIQZRSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-13-9-11(4,8-12)7-10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol?
2,4-dimethyl-2-(propoxymethyl)pentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(propoxymethyl)pentan-1-ol is sourced from PubChem (CID 91196537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).