2,2,5-trimethyl-5-(3-methylbutoxy)hexane

C14H30O — CID 123343377

IUPAC2,2,5-trimethyl-5-(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHZZOTFHQMKNEE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds6

About 2,2,5-trimethyl-5-(3-methylbutoxy)hexane

2,2,5-trimethyl-5-(3-methylbutoxy)hexane (PubChem CID 123343377) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-(3-methylbutoxy)hexane.

Molecular Properties

Compound Name2,2,5-trimethyl-5-(3-methylbutoxy)hexane
PubChem CID123343377
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,5-trimethyl-5-(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHZZOTFHQMKNEE-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The IUPAC name of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane (CID 123343377) is 2,2,5-trimethyl-5-(3-methylbutoxy)hexane.
What is the SMILES notation for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The canonical SMILES for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane is CC(C)CCOC(C)(C)CCC(C)(C)C.
What is the InChIKey of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The InChIKey is GHZZOTFHQMKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
2,2,5-trimethyl-5-(3-methylbutoxy)hexane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane is sourced from PubChem (CID 123343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).