2,2-dimethyl-4-propan-2-yloxybutan-1-ol

C9H20O2 — CID 66023618

IUPAC2,2-dimethyl-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(C)(C)CO
InChIInChI=1S/C9H20O2/c1-8(2)11-6-5-9(3,4)7-10/h8,10H,5-7H2,1-4H3
InChIKeyFUEOJFAZFOHCQI-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds5

About 2,2-dimethyl-4-propan-2-yloxybutan-1-ol

2,2-dimethyl-4-propan-2-yloxybutan-1-ol (PubChem CID 66023618) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yloxybutan-1-ol
PubChem CID66023618
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2,2-dimethyl-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(C)(C)CO
InChIInChI=1S/C9H20O2/c1-8(2)11-6-5-9(3,4)7-10/h8,10H,5-7H2,1-4H3
InChIKeyFUEOJFAZFOHCQI-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4-propan-2-yloxybutan-1-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

2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
2-(ethylamino)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 64803827
3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane
CID 91137551
2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 64803423
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-amino-2-methyl-4-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64802797
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
CID 104625347
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
CID 90221696
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
CID 11470973

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yloxybutan-1-ol?
The IUPAC name of 2,2-dimethyl-4-propan-2-yloxybutan-1-ol (CID 66023618) is 2,2-dimethyl-4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yloxybutan-1-ol is CC(C)OCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yloxybutan-1-ol?
The InChIKey is FUEOJFAZFOHCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(2)11-6-5-9(3,4)7-10/h8,10H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yloxybutan-1-ol?
2,2-dimethyl-4-propan-2-yloxybutan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 66023618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).