1,2-diethoxy-3-methylpentane

C10H22O2 — CID 173351190

IUPAC1,2-diethoxy-3-methylpentane
SMILESCCOCC(OCC)C(C)CC
InChIInChI=1S/C10H22O2/c1-5-9(4)10(12-7-3)8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyKZIDAEZADBWFHX-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds7

About 1,2-diethoxy-3-methylpentane

1,2-diethoxy-3-methylpentane (PubChem CID 173351190) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,2-diethoxy-3-methylpentane.

Molecular Properties

Compound Name1,2-diethoxy-3-methylpentane
PubChem CID173351190
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,2-diethoxy-3-methylpentane
SMILESCCOCC(OCC)C(C)CC
InChIInChI=1S/C10H22O2/c1-5-9(4)10(12-7-3)8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyKZIDAEZADBWFHX-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3-methylpentane?
The IUPAC name of 1,2-diethoxy-3-methylpentane (CID 173351190) is 1,2-diethoxy-3-methylpentane.
What is the SMILES notation for 1,2-diethoxy-3-methylpentane?
The canonical SMILES for 1,2-diethoxy-3-methylpentane is CCOCC(OCC)C(C)CC.
What is the InChIKey of 1,2-diethoxy-3-methylpentane?
The InChIKey is KZIDAEZADBWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-9(4)10(12-7-3)8-11-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,2-diethoxy-3-methylpentane?
1,2-diethoxy-3-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3-methylpentane is sourced from PubChem (CID 173351190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).