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

C10H20O2 — CID 150331836

IUPAC2-methyl-1-(3-propoxypropoxy)prop-1-ene
SMILESCCCOCCCOC=C(C)C
InChIInChI=1S/C10H20O2/c1-4-6-11-7-5-8-12-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyGPVIHULFJUQFBD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds7

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

2-methyl-1-(3-propoxypropoxy)prop-1-ene (PubChem CID 150331836) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-(3-propoxypropoxy)prop-1-ene.

Molecular Properties

Compound Name2-methyl-1-(3-propoxypropoxy)prop-1-ene
PubChem CID150331836
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-1-(3-propoxypropoxy)prop-1-ene
SMILESCCCOCCCOC=C(C)C
InChIInChI=1S/C10H20O2/c1-4-6-11-7-5-8-12-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyGPVIHULFJUQFBD-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propoxypropoxy)prop-1-ene?
The IUPAC name of 2-methyl-1-(3-propoxypropoxy)prop-1-ene (CID 150331836) is 2-methyl-1-(3-propoxypropoxy)prop-1-ene.
What is the SMILES notation for 2-methyl-1-(3-propoxypropoxy)prop-1-ene?
The canonical SMILES for 2-methyl-1-(3-propoxypropoxy)prop-1-ene is CCCOCCCOC=C(C)C.
What is the InChIKey of 2-methyl-1-(3-propoxypropoxy)prop-1-ene?
The InChIKey is GPVIHULFJUQFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-11-7-5-8-12-9-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propoxypropoxy)prop-1-ene?
2-methyl-1-(3-propoxypropoxy)prop-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propoxypropoxy)prop-1-ene is sourced from PubChem (CID 150331836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).