3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane

C14H30O — CID 22957875

IUPAC3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane
SMILESCCC(C)(CC)COCC(C)(CC)CC
InChIInChI=1S/C14H30O/c1-7-13(5,8-2)11-15-12-14(6,9-3)10-4/h7-12H2,1-6H3
InChIKeyNXDHVUADVFDARP-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.66
Rot. Bonds8

About 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane

3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane (PubChem CID 22957875) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane.

Molecular Properties

Compound Name3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane
PubChem CID22957875
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane
SMILESCCC(C)(CC)COCC(C)(CC)CC
InChIInChI=1S/C14H30O/c1-7-13(5,8-2)11-15-12-14(6,9-3)10-4/h7-12H2,1-6H3
InChIKeyNXDHVUADVFDARP-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane?
The IUPAC name of 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane (CID 22957875) is 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane.
What is the SMILES notation for 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane?
The canonical SMILES for 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane is CCC(C)(CC)COCC(C)(CC)CC.
What is the InChIKey of 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane?
The InChIKey is NXDHVUADVFDARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-13(5,8-2)11-15-12-14(6,9-3)10-4/h7-12H2,1-6H3.
What are the key properties of 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane?
3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane has a molecular weight of 214.39 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-methylbutoxy)methyl]-3-methylpentane is sourced from PubChem (CID 22957875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).