3-propoxy-2-(propoxymethyl)prop-1-ene

C10H20O2 — CID 18988412

IUPAC3-propoxy-2-(propoxymethyl)prop-1-ene
SMILESC=C(COCCC)COCCC
InChIInChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3-9H2,1-2H3
InChIKeyWTRHVJKXJQHIOP-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds8

About 3-propoxy-2-(propoxymethyl)prop-1-ene

3-propoxy-2-(propoxymethyl)prop-1-ene (PubChem CID 18988412) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-propoxy-2-(propoxymethyl)prop-1-ene.

Molecular Properties

Compound Name3-propoxy-2-(propoxymethyl)prop-1-ene
PubChem CID18988412
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-propoxy-2-(propoxymethyl)prop-1-ene
SMILESC=C(COCCC)COCCC
InChIInChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3-9H2,1-2H3
InChIKeyWTRHVJKXJQHIOP-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
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 3-propoxy-2-(propoxymethyl)prop-1-ene?
The IUPAC name of 3-propoxy-2-(propoxymethyl)prop-1-ene (CID 18988412) is 3-propoxy-2-(propoxymethyl)prop-1-ene.
What is the SMILES notation for 3-propoxy-2-(propoxymethyl)prop-1-ene?
The canonical SMILES for 3-propoxy-2-(propoxymethyl)prop-1-ene is C=C(COCCC)COCCC.
What is the InChIKey of 3-propoxy-2-(propoxymethyl)prop-1-ene?
The InChIKey is WTRHVJKXJQHIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3-9H2,1-2H3.
What are the key properties of 3-propoxy-2-(propoxymethyl)prop-1-ene?
3-propoxy-2-(propoxymethyl)prop-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-2-(propoxymethyl)prop-1-ene is sourced from PubChem (CID 18988412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).