2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane

C16H34O2 — CID 6850793

IUPAC2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane
SMILESCC(C)COCC(C)(C)C(OCC(C)C)C(C)C
InChIInChI=1S/C16H34O2/c1-12(2)9-17-11-16(7,8)15(14(5)6)18-10-13(3)4/h12-15H,9-11H2,1-8H3
InChIKeySDTQRBYCFCFJPW-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.38
Rot. Bonds9

About 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane

2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane (PubChem CID 6850793) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane
PubChem CID6850793
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane
SMILESCC(C)COCC(C)(C)C(OCC(C)C)C(C)C
InChIInChI=1S/C16H34O2/c1-12(2)9-17-11-16(7,8)15(14(5)6)18-10-13(3)4/h12-15H,9-11H2,1-8H3
InChIKeySDTQRBYCFCFJPW-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane?
The IUPAC name of 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane (CID 6850793) is 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane.
What is the SMILES notation for 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane?
The canonical SMILES for 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane is CC(C)COCC(C)(C)C(OCC(C)C)C(C)C.
What is the InChIKey of 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane?
The InChIKey is SDTQRBYCFCFJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-12(2)9-17-11-16(7,8)15(14(5)6)18-10-13(3)4/h12-15H,9-11H2,1-8H3.
What are the key properties of 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane?
2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane has a molecular weight of 258.45 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3-bis(2-methylpropoxy)pentane is sourced from PubChem (CID 6850793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).