2,3-dimethyl-2,3-bis(prop-2-enoxy)butane

C12H22O2 — CID 11745624

IUPAC2,3-dimethyl-2,3-bis(prop-2-enoxy)butane
SMILESC=CCOC(C)(C)C(C)(C)OCC=C
InChIInChI=1S/C12H22O2/c1-7-9-13-11(3,4)12(5,6)14-10-8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyXAVNMLWQABEWLS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds7

About 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane

2,3-dimethyl-2,3-bis(prop-2-enoxy)butane (PubChem CID 11745624) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane.

Molecular Properties

Compound Name2,3-dimethyl-2,3-bis(prop-2-enoxy)butane
PubChem CID11745624
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2,3-dimethyl-2,3-bis(prop-2-enoxy)butane
SMILESC=CCOC(C)(C)C(C)(C)OCC=C
InChIInChI=1S/C12H22O2/c1-7-9-13-11(3,4)12(5,6)14-10-8-2/h7-8H,1-2,9-10H2,3-6H3
InChIKeyXAVNMLWQABEWLS-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane?
The IUPAC name of 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane (CID 11745624) is 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane.
What is the SMILES notation for 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane?
The canonical SMILES for 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane is C=CCOC(C)(C)C(C)(C)OCC=C.
What is the InChIKey of 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane?
The InChIKey is XAVNMLWQABEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-7-9-13-11(3,4)12(5,6)14-10-8-2/h7-8H,1-2,9-10H2,3-6H3.
What are the key properties of 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane?
2,3-dimethyl-2,3-bis(prop-2-enoxy)butane has a molecular weight of 198.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-bis(prop-2-enoxy)butane is sourced from PubChem (CID 11745624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).