3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane

C14H28O2 — CID 146216381

IUPAC3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane
SMILESC=C(CCOC(C)(C)C)CCOC(C)(C)C
InChIInChI=1S/C14H28O2/c1-12(8-10-15-13(2,3)4)9-11-16-14(5,6)7/h1,8-11H2,2-7H3
InChIKeyHPXZBZRXPIQXEI-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.95
Rot. Bonds6

About 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane

3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 146216381) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane
PubChem CID146216381
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane
SMILESC=C(CCOC(C)(C)C)CCOC(C)(C)C
InChIInChI=1S/C14H28O2/c1-12(8-10-15-13(2,3)4)9-11-16-14(5,6)7/h1,8-11H2,2-7H3
InChIKeyHPXZBZRXPIQXEI-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane (CID 146216381) is 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane is C=C(CCOC(C)(C)C)CCOC(C)(C)C.
What is the InChIKey of 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is HPXZBZRXPIQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(8-10-15-13(2,3)4)9-11-16-14(5,6)7/h1,8-11H2,2-7H3.
What are the key properties of 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane?
3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 228.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,5-bis[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 146216381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).