3,3-bis(2-methylprop-1-enoxymethyl)pentane

C15H28O2 — CID 87658857

IUPAC3,3-bis(2-methylprop-1-enoxymethyl)pentane
SMILESCCC(CC)(COC=C(C)C)COC=C(C)C
InChIInChI=1S/C15H28O2/c1-7-15(8-2,11-16-9-13(3)4)12-17-10-14(5)6/h9-10H,7-8,11-12H2,1-6H3
InChIKeyQOADIZGZBKDDSG-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.67
Rot. Bonds8

About 3,3-bis(2-methylprop-1-enoxymethyl)pentane

3,3-bis(2-methylprop-1-enoxymethyl)pentane (PubChem CID 87658857) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3-bis(2-methylprop-1-enoxymethyl)pentane.

Molecular Properties

Compound Name3,3-bis(2-methylprop-1-enoxymethyl)pentane
PubChem CID87658857
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3,3-bis(2-methylprop-1-enoxymethyl)pentane
SMILESCCC(CC)(COC=C(C)C)COC=C(C)C
InChIInChI=1S/C15H28O2/c1-7-15(8-2,11-16-9-13(3)4)12-17-10-14(5)6/h9-10H,7-8,11-12H2,1-6H3
InChIKeyQOADIZGZBKDDSG-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3-bis(2-methylprop-1-enoxymethyl)pentane?
The IUPAC name of 3,3-bis(2-methylprop-1-enoxymethyl)pentane (CID 87658857) is 3,3-bis(2-methylprop-1-enoxymethyl)pentane.
What is the SMILES notation for 3,3-bis(2-methylprop-1-enoxymethyl)pentane?
The canonical SMILES for 3,3-bis(2-methylprop-1-enoxymethyl)pentane is CCC(CC)(COC=C(C)C)COC=C(C)C.
What is the InChIKey of 3,3-bis(2-methylprop-1-enoxymethyl)pentane?
The InChIKey is QOADIZGZBKDDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-7-15(8-2,11-16-9-13(3)4)12-17-10-14(5)6/h9-10H,7-8,11-12H2,1-6H3.
What are the key properties of 3,3-bis(2-methylprop-1-enoxymethyl)pentane?
3,3-bis(2-methylprop-1-enoxymethyl)pentane has a molecular weight of 240.39 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methylprop-1-enoxymethyl)pentane is sourced from PubChem (CID 87658857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).