2-methyl-3,3-dipropoxybut-1-ene

C11H22O2 — CID 139782861

IUPAC2-methyl-3,3-dipropoxybut-1-ene
SMILESC=C(C)C(C)(OCCC)OCCC
InChIInChI=1S/C11H22O2/c1-6-8-12-11(5,10(3)4)13-9-7-2/h3,6-9H2,1-2,4-5H3
InChIKeyFZIURSHSZKKGQE-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds7

About 2-methyl-3,3-dipropoxybut-1-ene

2-methyl-3,3-dipropoxybut-1-ene (PubChem CID 139782861) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-3,3-dipropoxybut-1-ene.

Molecular Properties

Compound Name2-methyl-3,3-dipropoxybut-1-ene
PubChem CID139782861
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-3,3-dipropoxybut-1-ene
SMILESC=C(C)C(C)(OCCC)OCCC
InChIInChI=1S/C11H22O2/c1-6-8-12-11(5,10(3)4)13-9-7-2/h3,6-9H2,1-2,4-5H3
InChIKeyFZIURSHSZKKGQE-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-dipropoxybut-1-ene?
The IUPAC name of 2-methyl-3,3-dipropoxybut-1-ene (CID 139782861) is 2-methyl-3,3-dipropoxybut-1-ene.
What is the SMILES notation for 2-methyl-3,3-dipropoxybut-1-ene?
The canonical SMILES for 2-methyl-3,3-dipropoxybut-1-ene is C=C(C)C(C)(OCCC)OCCC.
What is the InChIKey of 2-methyl-3,3-dipropoxybut-1-ene?
The InChIKey is FZIURSHSZKKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-8-12-11(5,10(3)4)13-9-7-2/h3,6-9H2,1-2,4-5H3.
What are the key properties of 2-methyl-3,3-dipropoxybut-1-ene?
2-methyl-3,3-dipropoxybut-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-dipropoxybut-1-ene is sourced from PubChem (CID 139782861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).