(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane

C14H30O — CID 169306113

IUPAC(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
SMILESC[C@@H](C(C)(C)C)C(C)(C)OCC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(13(5,6)7)14(8,9)15-10-12(2,3)4/h11H,10H2,1-9H3/t11-/m0/s1
InChIKeyZSSNNHIZBMXOEQ-NSHDSACASA-N
MW214.39 g/mol
LogP4.51
Rot. Bonds3

About (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane

(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane (PubChem CID 169306113) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane.

Molecular Properties

Compound Name(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
PubChem CID169306113
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane
SMILESC[C@@H](C(C)(C)C)C(C)(C)OCC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(13(5,6)7)14(8,9)15-10-12(2,3)4/h11H,10H2,1-9H3/t11-/m0/s1
InChIKeyZSSNNHIZBMXOEQ-NSHDSACASA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane?
The IUPAC name of (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane (CID 169306113) is (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane.
What is the SMILES notation for (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane?
The canonical SMILES for (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane is C[C@@H](C(C)(C)C)C(C)(C)OCC(C)(C)C.
What is the InChIKey of (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane?
The InChIKey is ZSSNNHIZBMXOEQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H30O/c1-11(13(5,6)7)14(8,9)15-10-12(2,3)4/h11H,10H2,1-9H3/t11-/m0/s1.
What are the key properties of (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane?
(3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(2,2-dimethylpropoxy)-2,3,4,4-tetramethylpentane is sourced from PubChem (CID 169306113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).