2,5-dimethyl-3-prop-2-enoxyhex-1-ene

C11H20O — CID 10920921

IUPAC2,5-dimethyl-3-prop-2-enoxyhex-1-ene
SMILESC=CCOC(CC(C)C)C(=C)C
InChIInChI=1S/C11H20O/c1-6-7-12-11(10(4)5)8-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3
InChIKeyCXISCVDRUQKGIQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 2,5-dimethyl-3-prop-2-enoxyhex-1-ene

2,5-dimethyl-3-prop-2-enoxyhex-1-ene (PubChem CID 10920921) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-prop-2-enoxyhex-1-ene.

Molecular Properties

Compound Name2,5-dimethyl-3-prop-2-enoxyhex-1-ene
PubChem CID10920921
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,5-dimethyl-3-prop-2-enoxyhex-1-ene
SMILESC=CCOC(CC(C)C)C(=C)C
InChIInChI=1S/C11H20O/c1-6-7-12-11(10(4)5)8-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3
InChIKeyCXISCVDRUQKGIQ-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The IUPAC name of 2,5-dimethyl-3-prop-2-enoxyhex-1-ene (CID 10920921) is 2,5-dimethyl-3-prop-2-enoxyhex-1-ene.
What is the SMILES notation for 2,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The canonical SMILES for 2,5-dimethyl-3-prop-2-enoxyhex-1-ene is C=CCOC(CC(C)C)C(=C)C.
What is the InChIKey of 2,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The InChIKey is CXISCVDRUQKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-7-12-11(10(4)5)8-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3.
What are the key properties of 2,5-dimethyl-3-prop-2-enoxyhex-1-ene?
2,5-dimethyl-3-prop-2-enoxyhex-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-prop-2-enoxyhex-1-ene is sourced from PubChem (CID 10920921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).