2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane

C11H20O2 — CID 57153321

IUPAC2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane
SMILESC=C(C)OCC(C)(C)COC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h1,3,7-8H2,2,4-6H3
InChIKeyZPDYMTPIGMJMPQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.11
Rot. Bonds6

About 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane

2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane (PubChem CID 57153321) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane
PubChem CID57153321
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane
SMILESC=C(C)OCC(C)(C)COC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h1,3,7-8H2,2,4-6H3
InChIKeyZPDYMTPIGMJMPQ-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.11
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 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane?
The IUPAC name of 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane (CID 57153321) is 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane.
What is the SMILES notation for 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane?
The canonical SMILES for 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane is C=C(C)OCC(C)(C)COC(=C)C.
What is the InChIKey of 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane?
The InChIKey is ZPDYMTPIGMJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)12-7-11(5,6)8-13-10(3)4/h1,3,7-8H2,2,4-6H3.
What are the key properties of 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane?
2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane has a molecular weight of 184.28 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-bis(prop-1-en-2-yloxy)propane is sourced from PubChem (CID 57153321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).