3,3-diethoxy-2,4-dimethylpentane

C11H24O2 — CID 11788732

IUPAC3,3-diethoxy-2,4-dimethylpentane
SMILESCCOC(OCC)(C(C)C)C(C)C
InChIInChI=1S/C11H24O2/c1-7-12-11(9(3)4,10(5)6)13-8-2/h9-10H,7-8H2,1-6H3
InChIKeyIOLYAIFJTAIGJV-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.07
Rot. Bonds6

About 3,3-diethoxy-2,4-dimethylpentane

3,3-diethoxy-2,4-dimethylpentane (PubChem CID 11788732) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,3-diethoxy-2,4-dimethylpentane.

Molecular Properties

Compound Name3,3-diethoxy-2,4-dimethylpentane
PubChem CID11788732
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3,3-diethoxy-2,4-dimethylpentane
SMILESCCOC(OCC)(C(C)C)C(C)C
InChIInChI=1S/C11H24O2/c1-7-12-11(9(3)4,10(5)6)13-8-2/h9-10H,7-8H2,1-6H3
InChIKeyIOLYAIFJTAIGJV-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-2,4-dimethylpentane?
The IUPAC name of 3,3-diethoxy-2,4-dimethylpentane (CID 11788732) is 3,3-diethoxy-2,4-dimethylpentane.
What is the SMILES notation for 3,3-diethoxy-2,4-dimethylpentane?
The canonical SMILES for 3,3-diethoxy-2,4-dimethylpentane is CCOC(OCC)(C(C)C)C(C)C.
What is the InChIKey of 3,3-diethoxy-2,4-dimethylpentane?
The InChIKey is IOLYAIFJTAIGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-7-12-11(9(3)4,10(5)6)13-8-2/h9-10H,7-8H2,1-6H3.
What are the key properties of 3,3-diethoxy-2,4-dimethylpentane?
3,3-diethoxy-2,4-dimethylpentane has a molecular weight of 188.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-2,4-dimethylpentane is sourced from PubChem (CID 11788732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).