1-methoxy-3-(2-methoxyethyl)-4-methylpentane

C10H22O2 — CID 20828153

IUPAC1-methoxy-3-(2-methoxyethyl)-4-methylpentane
SMILESCOCCC(CCOC)C(C)C
InChIInChI=1S/C10H22O2/c1-9(2)10(5-7-11-3)6-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyABZNTRDBFDZBIO-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.33
Rot. Bonds7

About 1-methoxy-3-(2-methoxyethyl)-4-methylpentane

1-methoxy-3-(2-methoxyethyl)-4-methylpentane (PubChem CID 20828153) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethyl)-4-methylpentane.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethyl)-4-methylpentane
PubChem CID20828153
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-methoxy-3-(2-methoxyethyl)-4-methylpentane
SMILESCOCCC(CCOC)C(C)C
InChIInChI=1S/C10H22O2/c1-9(2)10(5-7-11-3)6-8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyABZNTRDBFDZBIO-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethyl)-4-methylpentane?
The IUPAC name of 1-methoxy-3-(2-methoxyethyl)-4-methylpentane (CID 20828153) is 1-methoxy-3-(2-methoxyethyl)-4-methylpentane.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethyl)-4-methylpentane?
The canonical SMILES for 1-methoxy-3-(2-methoxyethyl)-4-methylpentane is COCCC(CCOC)C(C)C.
What is the InChIKey of 1-methoxy-3-(2-methoxyethyl)-4-methylpentane?
The InChIKey is ABZNTRDBFDZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2)10(5-7-11-3)6-8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-3-(2-methoxyethyl)-4-methylpentane?
1-methoxy-3-(2-methoxyethyl)-4-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethyl)-4-methylpentane is sourced from PubChem (CID 20828153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).