3-[(2-methylpropan-2-yl)oxymethylidene]pentane

C10H20O — CID 22234839

IUPAC3-[(2-methylpropan-2-yl)oxymethylidene]pentane
SMILESCCC(=COC(C)(C)C)CC
InChIInChI=1S/C10H20O/c1-6-9(7-2)8-11-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyFYCANIAQRYILPZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxymethylidene]pentane

3-[(2-methylpropan-2-yl)oxymethylidene]pentane (PubChem CID 22234839) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethylidene]pentane.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethylidene]pentane
PubChem CID22234839
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-[(2-methylpropan-2-yl)oxymethylidene]pentane
SMILESCCC(=COC(C)(C)C)CC
InChIInChI=1S/C10H20O/c1-6-9(7-2)8-11-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyFYCANIAQRYILPZ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethylidene]pentane?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethylidene]pentane (CID 22234839) is 3-[(2-methylpropan-2-yl)oxymethylidene]pentane.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethylidene]pentane?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethylidene]pentane is CCC(=COC(C)(C)C)CC.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethylidene]pentane?
The InChIKey is FYCANIAQRYILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-9(7-2)8-11-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethylidene]pentane?
3-[(2-methylpropan-2-yl)oxymethylidene]pentane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethylidene]pentane is sourced from PubChem (CID 22234839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).