2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane

C14H30O — CID 18364477

IUPAC2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane
SMILESCC(C)(C)C(C)(C)OC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30O/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3
InChIKeyKCPDPHFRMNMEKC-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds2

About 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane

2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane (PubChem CID 18364477) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane
PubChem CID18364477
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane
SMILESCC(C)(C)C(C)(C)OC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30O/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3
InChIKeyKCPDPHFRMNMEKC-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane?
The IUPAC name of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane (CID 18364477) is 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane?
The canonical SMILES for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane is CC(C)(C)C(C)(C)OC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane?
The InChIKey is KCPDPHFRMNMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-11(2,3)13(7,8)15-14(9,10)12(4,5)6/h1-10H3.
What are the key properties of 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane?
2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,3,3-trimethylbutan-2-yloxy)butane is sourced from PubChem (CID 18364477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).