1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane

C16H34O2 — CID 173256840

IUPAC1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
SMILESCC(C)COCCCCCCCCOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-15(2)14-17-12-10-8-6-7-9-11-13-18-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyCTBQGKYTTXALHR-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.81
Rot. Bonds11

About 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane

1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane (PubChem CID 173256840) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
PubChem CID173256840
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
SMILESCC(C)COCCCCCCCCOC(C)(C)C
InChIInChI=1S/C16H34O2/c1-15(2)14-17-12-10-8-6-7-9-11-13-18-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyCTBQGKYTTXALHR-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
CID 139316790
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2-methyl-1,10-bis[(2-methylpropan-2-yl)oxy]decane
CID 19888732
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-[3-(2-methylpropoxy)propoxy]pyrrolidine
CID 140899224
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane (CID 173256840) is 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane is CC(C)COCCCCCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane?
The InChIKey is CTBQGKYTTXALHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-15(2)14-17-12-10-8-6-7-9-11-13-18-16(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane?
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane has a molecular weight of 258.45 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane is sourced from PubChem (CID 173256840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).