2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene

C10H18O2 — CID 11829887

IUPAC2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene
SMILESC=CCOCCCOCC(=C)C
InChIInChI=1S/C10H18O2/c1-4-6-11-7-5-8-12-9-10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyGYXXKIWYZIABEK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds8

About 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene

2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene (PubChem CID 11829887) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene
PubChem CID11829887
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene
SMILESC=CCOCCCOCC(=C)C
InChIInChI=1S/C10H18O2/c1-4-6-11-7-5-8-12-9-10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyGYXXKIWYZIABEK-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene?
The IUPAC name of 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene (CID 11829887) is 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene.
What is the SMILES notation for 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene?
The canonical SMILES for 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene is C=CCOCCCOCC(=C)C.
What is the InChIKey of 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene?
The InChIKey is GYXXKIWYZIABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-11-7-5-8-12-9-10(2)3/h4H,1-2,5-9H2,3H3.
What are the key properties of 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene?
2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene has a molecular weight of 170.25 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-prop-2-enoxypropoxy)prop-1-ene is sourced from PubChem (CID 11829887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).