1,5-diethoxy-3-methylpentane

C10H22O2 — CID 54146284

IUPAC1,5-diethoxy-3-methylpentane
SMILESCCOCCC(C)CCOCC
InChIInChI=1S/C10H22O2/c1-4-11-8-6-10(3)7-9-12-5-2/h10H,4-9H2,1-3H3
InChIKeyWILRLNPSSBJOMH-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds8

About 1,5-diethoxy-3-methylpentane

1,5-diethoxy-3-methylpentane (PubChem CID 54146284) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,5-diethoxy-3-methylpentane.

Molecular Properties

Compound Name1,5-diethoxy-3-methylpentane
PubChem CID54146284
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,5-diethoxy-3-methylpentane
SMILESCCOCCC(C)CCOCC
InChIInChI=1S/C10H22O2/c1-4-11-8-6-10(3)7-9-12-5-2/h10H,4-9H2,1-3H3
InChIKeyWILRLNPSSBJOMH-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethoxy-3-methylpentane?
The IUPAC name of 1,5-diethoxy-3-methylpentane (CID 54146284) is 1,5-diethoxy-3-methylpentane.
What is the SMILES notation for 1,5-diethoxy-3-methylpentane?
The canonical SMILES for 1,5-diethoxy-3-methylpentane is CCOCCC(C)CCOCC.
What is the InChIKey of 1,5-diethoxy-3-methylpentane?
The InChIKey is WILRLNPSSBJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-11-8-6-10(3)7-9-12-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1,5-diethoxy-3-methylpentane?
1,5-diethoxy-3-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethoxy-3-methylpentane is sourced from PubChem (CID 54146284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).