3-(4-methylpentoxymethylidene)pentane

C12H24O — CID 22234790

IUPAC3-(4-methylpentoxymethylidene)pentane
SMILESCCC(=COCCCC(C)C)CC
InChIInChI=1S/C12H24O/c1-5-12(6-2)10-13-9-7-8-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyZOJGJYBZLOSPLV-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds7

About 3-(4-methylpentoxymethylidene)pentane

3-(4-methylpentoxymethylidene)pentane (PubChem CID 22234790) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(4-methylpentoxymethylidene)pentane.

Molecular Properties

Compound Name3-(4-methylpentoxymethylidene)pentane
PubChem CID22234790
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(4-methylpentoxymethylidene)pentane
SMILESCCC(=COCCCC(C)C)CC
InChIInChI=1S/C12H24O/c1-5-12(6-2)10-13-9-7-8-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyZOJGJYBZLOSPLV-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxymethylidene)pentane?
The IUPAC name of 3-(4-methylpentoxymethylidene)pentane (CID 22234790) is 3-(4-methylpentoxymethylidene)pentane.
What is the SMILES notation for 3-(4-methylpentoxymethylidene)pentane?
The canonical SMILES for 3-(4-methylpentoxymethylidene)pentane is CCC(=COCCCC(C)C)CC.
What is the InChIKey of 3-(4-methylpentoxymethylidene)pentane?
The InChIKey is ZOJGJYBZLOSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(6-2)10-13-9-7-8-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(4-methylpentoxymethylidene)pentane?
3-(4-methylpentoxymethylidene)pentane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxymethylidene)pentane is sourced from PubChem (CID 22234790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).