2-(3-methoxy-3-methylbutoxy)-2-methylpentane

C12H26O2 — CID 57067616

IUPAC2-(3-methoxy-3-methylbutoxy)-2-methylpentane
SMILESCCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C12H26O2/c1-7-8-12(4,5)14-10-9-11(2,3)13-6/h7-10H2,1-6H3
InChIKeyRYYDZNJKLHCWAP-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-methoxy-3-methylbutoxy)-2-methylpentane

2-(3-methoxy-3-methylbutoxy)-2-methylpentane (PubChem CID 57067616) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-2-methylpentane.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-2-methylpentane
PubChem CID57067616
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(3-methoxy-3-methylbutoxy)-2-methylpentane
SMILESCCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C12H26O2/c1-7-8-12(4,5)14-10-9-11(2,3)13-6/h7-10H2,1-6H3
InChIKeyRYYDZNJKLHCWAP-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methylpentane?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-2-methylpentane (CID 57067616) is 2-(3-methoxy-3-methylbutoxy)-2-methylpentane.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-2-methylpentane?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-2-methylpentane is CCCC(C)(C)OCCC(C)(C)OC.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-2-methylpentane?
The InChIKey is RYYDZNJKLHCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-8-12(4,5)14-10-9-11(2,3)13-6/h7-10H2,1-6H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-2-methylpentane?
2-(3-methoxy-3-methylbutoxy)-2-methylpentane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-2-methylpentane is sourced from PubChem (CID 57067616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).