3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane

C12H26O2 — CID 18619128

IUPAC3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane
SMILESCCC(C)(C(C)C)C(COC)COC
InChIInChI=1S/C12H26O2/c1-7-12(4,10(2)3)11(8-13-5)9-14-6/h10-11H,7-9H2,1-6H3
InChIKeyOTCQJSWLHDCBIL-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.97
Rot. Bonds7

About 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane

3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane (PubChem CID 18619128) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane.

Molecular Properties

Compound Name3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane
PubChem CID18619128
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane
SMILESCCC(C)(C(C)C)C(COC)COC
InChIInChI=1S/C12H26O2/c1-7-12(4,10(2)3)11(8-13-5)9-14-6/h10-11H,7-9H2,1-6H3
InChIKeyOTCQJSWLHDCBIL-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane?
The IUPAC name of 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane (CID 18619128) is 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane.
What is the SMILES notation for 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane?
The canonical SMILES for 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane is CCC(C)(C(C)C)C(COC)COC.
What is the InChIKey of 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane?
The InChIKey is OTCQJSWLHDCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-12(4,10(2)3)11(8-13-5)9-14-6/h10-11H,7-9H2,1-6H3.
What are the key properties of 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane?
3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane has a molecular weight of 202.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-2-(methoxymethyl)-3,4-dimethylpentane is sourced from PubChem (CID 18619128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).