2,3-diethoxy-4-methylpentane

C10H22O2 — CID 18398349

IUPAC2,3-diethoxy-4-methylpentane
SMILESCCOC(C)C(OCC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-11-9(5)10(8(3)4)12-7-2/h8-10H,6-7H2,1-5H3
InChIKeyNMQXPVFJYLSPFM-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds6

About 2,3-diethoxy-4-methylpentane

2,3-diethoxy-4-methylpentane (PubChem CID 18398349) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,3-diethoxy-4-methylpentane.

Molecular Properties

Compound Name2,3-diethoxy-4-methylpentane
PubChem CID18398349
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,3-diethoxy-4-methylpentane
SMILESCCOC(C)C(OCC)C(C)C
InChIInChI=1S/C10H22O2/c1-6-11-9(5)10(8(3)4)12-7-2/h8-10H,6-7H2,1-5H3
InChIKeyNMQXPVFJYLSPFM-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 2,3-diethoxy-4-methylpentane?
The IUPAC name of 2,3-diethoxy-4-methylpentane (CID 18398349) is 2,3-diethoxy-4-methylpentane.
What is the SMILES notation for 2,3-diethoxy-4-methylpentane?
The canonical SMILES for 2,3-diethoxy-4-methylpentane is CCOC(C)C(OCC)C(C)C.
What is the InChIKey of 2,3-diethoxy-4-methylpentane?
The InChIKey is NMQXPVFJYLSPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-11-9(5)10(8(3)4)12-7-2/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,3-diethoxy-4-methylpentane?
2,3-diethoxy-4-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-4-methylpentane is sourced from PubChem (CID 18398349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).