2,2-dimethyl-3-pentoxypentane

C12H26O — CID 23119504

IUPAC2,2-dimethyl-3-pentoxypentane
SMILESCCCCCOC(CC)C(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-9-10-13-11(7-2)12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyTZJPUOOPUIKZCA-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds6

About 2,2-dimethyl-3-pentoxypentane

2,2-dimethyl-3-pentoxypentane (PubChem CID 23119504) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-pentoxypentane.

Molecular Properties

Compound Name2,2-dimethyl-3-pentoxypentane
PubChem CID23119504
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,2-dimethyl-3-pentoxypentane
SMILESCCCCCOC(CC)C(C)(C)C
InChIInChI=1S/C12H26O/c1-6-8-9-10-13-11(7-2)12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyTZJPUOOPUIKZCA-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-pentoxypentane 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

azane;3,3-dimethyl-1,2-dipentoxybutane;hydrochloride
CID 174893450
1-(difluoromethoxy)decane
CID 14400535
3-decoxy-2,2-dimethyltridecan-1-ol
CID 175424630
3-methyl-2,3-dioctadecoxybutan-1-amine
CID 146317626
(3,4-didodecoxy-2-methylbutan-2-yl)azanium bromide
CID 87894287
1-pentan-3-yloxydecane
CID 173279604
2,2-dimethyl-1-pentoxy-1-pentylperoxypropane
CID 150603402
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
2,2-dimethyl-3-octoxybutan-1-ol
CID 18961352
2-(hydroxymethyl)-2-(1-pentoxyhexyl)propane-1,3-diol
CID 87525337
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
4-O-(2,2-dimethylpentan-3-yl) 1-O-hexyl benzene-1,4-dicarboxylate
CID 91737111

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-pentoxypentane?
The IUPAC name of 2,2-dimethyl-3-pentoxypentane (CID 23119504) is 2,2-dimethyl-3-pentoxypentane.
What is the SMILES notation for 2,2-dimethyl-3-pentoxypentane?
The canonical SMILES for 2,2-dimethyl-3-pentoxypentane is CCCCCOC(CC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-pentoxypentane?
The InChIKey is TZJPUOOPUIKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-8-9-10-13-11(7-2)12(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-pentoxypentane?
2,2-dimethyl-3-pentoxypentane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-pentoxypentane is sourced from PubChem (CID 23119504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).