2-methyl-1,1-dipropoxyprop-1-ene

C10H20O2 — CID 18946417

IUPAC2-methyl-1,1-dipropoxyprop-1-ene
SMILESCCCOC(OCCC)=C(C)C
InChIInChI=1S/C10H20O2/c1-5-7-11-10(9(3)4)12-8-6-2/h5-8H2,1-4H3
InChIKeyJBVIQOKVSFEIHI-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.09
Rot. Bonds6

About 2-methyl-1,1-dipropoxyprop-1-ene

2-methyl-1,1-dipropoxyprop-1-ene (PubChem CID 18946417) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1,1-dipropoxyprop-1-ene.

Molecular Properties

Compound Name2-methyl-1,1-dipropoxyprop-1-ene
PubChem CID18946417
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-1,1-dipropoxyprop-1-ene
SMILESCCCOC(OCCC)=C(C)C
InChIInChI=1S/C10H20O2/c1-5-7-11-10(9(3)4)12-8-6-2/h5-8H2,1-4H3
InChIKeyJBVIQOKVSFEIHI-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dipropoxyprop-1-ene?
The IUPAC name of 2-methyl-1,1-dipropoxyprop-1-ene (CID 18946417) is 2-methyl-1,1-dipropoxyprop-1-ene.
What is the SMILES notation for 2-methyl-1,1-dipropoxyprop-1-ene?
The canonical SMILES for 2-methyl-1,1-dipropoxyprop-1-ene is CCCOC(OCCC)=C(C)C.
What is the InChIKey of 2-methyl-1,1-dipropoxyprop-1-ene?
The InChIKey is JBVIQOKVSFEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7-11-10(9(3)4)12-8-6-2/h5-8H2,1-4H3.
What are the key properties of 2-methyl-1,1-dipropoxyprop-1-ene?
2-methyl-1,1-dipropoxyprop-1-ene has a molecular weight of 172.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dipropoxyprop-1-ene is sourced from PubChem (CID 18946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).