3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene

C12H24O2 — CID 18988599

IUPAC3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene
SMILESC=C(COCC(C)C)COCC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFLXHHWXMENUBGA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds8

About 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene

3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene (PubChem CID 18988599) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene.

Molecular Properties

Compound Name3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene
PubChem CID18988599
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene
SMILESC=C(COCC(C)C)COCC(C)C
InChIInChI=1S/C12H24O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFLXHHWXMENUBGA-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
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-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene?
The IUPAC name of 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene (CID 18988599) is 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene.
What is the SMILES notation for 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene?
The canonical SMILES for 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene is C=C(COCC(C)C)COCC(C)C.
What is the InChIKey of 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene?
The InChIKey is FLXHHWXMENUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene?
3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene has a molecular weight of 200.32 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-2-(2-methylpropoxymethyl)prop-1-ene is sourced from PubChem (CID 18988599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).