1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane

C15H30O3 — CID 14495345

IUPAC1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane
SMILESC=C(OCC(C)C)C(OCC(C)C)OCC(C)C
InChIInChI=1S/C15H30O3/c1-11(2)8-16-14(7)15(17-9-12(3)4)18-10-13(5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyOKLYWBKQIHMQPO-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.84
Rot. Bonds10

About 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane

1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane (PubChem CID 14495345) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane.

Molecular Properties

Compound Name1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane
PubChem CID14495345
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane
SMILESC=C(OCC(C)C)C(OCC(C)C)OCC(C)C
InChIInChI=1S/C15H30O3/c1-11(2)8-16-14(7)15(17-9-12(3)4)18-10-13(5)6/h11-13,15H,7-10H2,1-6H3
InChIKeyOKLYWBKQIHMQPO-UHFFFAOYSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane?
The IUPAC name of 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane (CID 14495345) is 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane.
What is the SMILES notation for 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane?
The canonical SMILES for 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane is C=C(OCC(C)C)C(OCC(C)C)OCC(C)C.
What is the InChIKey of 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane?
The InChIKey is OKLYWBKQIHMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-11(2)8-16-14(7)15(17-9-12(3)4)18-10-13(5)6/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane?
1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane has a molecular weight of 258.40 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(2-methylpropoxy)prop-2-enoxy]-2-methylpropane is sourced from PubChem (CID 14495345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).