2,2-Diethoxy-4-methylpentane

C10H22O2 — CID 12885742

IUPAC2,2-diethoxy-4-methylpentane
SMILESCCOC(C)(CC(C)C)OCC
InChIInChI=1S/C10H22O2/c1-6-11-10(5,12-7-2)8-9(3)4/h9H,6-8H2,1-5H3
InChIKeyBKQQVNRMVFAYSK-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.70
Rot. Bonds6

About 2,2-Diethoxy-4-methylpentane

2,2-Diethoxy-4-methylpentane (PubChem CID 12885742) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,2-diethoxy-4-methylpentane.

Molecular Properties

Compound Name2,2-Diethoxy-4-methylpentane
PubChem CID12885742
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,2-diethoxy-4-methylpentane
SMILESCCOC(C)(CC(C)C)OCC
InChIInChI=1S/C10H22O2/c1-6-11-10(5,12-7-2)8-9(3)4/h9H,6-8H2,1-5H3
InChIKeyBKQQVNRMVFAYSK-UHFFFAOYSA-N
XLogP2.70
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity104

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-Diisopropyl-1,3-dioxolane
CID 78137
1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
4-Methyl-2-pentanone dimethylacetal
CID 136864
1,3-Dioxolane, 2-ethyl-2-(1-methylethyl)-
CID 12296298
2-Ethyl-2-isobutyl-1,3-dioxolane
CID 13634
3,3-Diethoxy-5-methylhex-1-yne
CID 129708079
3,3-Dimethoxy-2,4-dimethylpentane
CID 10953811
1,1,1-Triethoxy-3-methylbutane
CID 20289365
Triisopropyl-1,3,5-trioxane
CID 20391614
Ethyl 4-methylpentan-2-yl carbonate
CID 91692268
Butane, 2,2-diethoxy-3-methyl-
CID 11321117
3,3-Dibutoxypentane
CID 12504290

Frequently Asked Questions

What is the IUPAC name of 2,2-Diethoxy-4-methylpentane?
The IUPAC name of 2,2-Diethoxy-4-methylpentane (CID 12885742) is 2,2-diethoxy-4-methylpentane.
What is the SMILES notation for 2,2-Diethoxy-4-methylpentane?
The canonical SMILES for 2,2-Diethoxy-4-methylpentane is CCOC(C)(CC(C)C)OCC.
What is the InChIKey of 2,2-Diethoxy-4-methylpentane?
The InChIKey is BKQQVNRMVFAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-11-10(5,12-7-2)8-9(3)4/h9H,6-8H2,1-5H3.
What are the key properties of 2,2-Diethoxy-4-methylpentane?
2,2-Diethoxy-4-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Diethoxy-4-methylpentane is sourced from PubChem (CID 12885742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).