4,4-dimethyl-1-propan-2-yloxypentane

C10H22O — CID 20579805

IUPAC4,4-dimethyl-1-propan-2-yloxypentane
SMILESCC(C)OCCCC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyHFUCPESHHJNDIA-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds4

About 4,4-dimethyl-1-propan-2-yloxypentane

4,4-dimethyl-1-propan-2-yloxypentane (PubChem CID 20579805) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-yloxypentane.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-yloxypentane
PubChem CID20579805
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4,4-dimethyl-1-propan-2-yloxypentane
SMILESCC(C)OCCCC(C)(C)C
InChIInChI=1S/C10H22O/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyHFUCPESHHJNDIA-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-propan-2-yloxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-yloxypentane?
The IUPAC name of 4,4-dimethyl-1-propan-2-yloxypentane (CID 20579805) is 4,4-dimethyl-1-propan-2-yloxypentane.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-yloxypentane?
The canonical SMILES for 4,4-dimethyl-1-propan-2-yloxypentane is CC(C)OCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-propan-2-yloxypentane?
The InChIKey is HFUCPESHHJNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-9(2)11-8-6-7-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-propan-2-yloxypentane?
4,4-dimethyl-1-propan-2-yloxypentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-yloxypentane is sourced from PubChem (CID 20579805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).