7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

C14H30O — CID 22907243

IUPAC7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)CCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h7-12H2,1-6H3
InChIKeyPBKQOHUDBZKBAM-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.80
Rot. Bonds6

About 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 22907243) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound Name7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
PubChem CID22907243
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)CCCCCCOC(C)(C)C
InChIInChI=1S/C14H30O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h7-12H2,1-6H3
InChIKeyPBKQOHUDBZKBAM-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane 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

6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane
CID 158388526
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
1-tert-butylperoxy-10,10-dimethylundecane
CID 150329885
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-ethoxy-6,6-dimethylheptane
CID 58021102

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The IUPAC name of 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (CID 22907243) is 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.
What is the SMILES notation for 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The canonical SMILES for 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is CC(C)(C)CCCCCCOC(C)(C)C.
What is the InChIKey of 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The InChIKey is PBKQOHUDBZKBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-13(2,3)11-9-7-8-10-12-15-14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 214.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 22907243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).