1-propan-2-yloxy-6-prop-2-enoxyhexane

C12H24O2 — CID 59532874

IUPAC1-propan-2-yloxy-6-prop-2-enoxyhexane
SMILESC=CCOCCCCCCOC(C)C
InChIInChI=1S/C12H24O2/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyAHQKZJBVEVHBHL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds10

About 1-propan-2-yloxy-6-prop-2-enoxyhexane

1-propan-2-yloxy-6-prop-2-enoxyhexane (PubChem CID 59532874) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-propan-2-yloxy-6-prop-2-enoxyhexane.

Molecular Properties

Compound Name1-propan-2-yloxy-6-prop-2-enoxyhexane
PubChem CID59532874
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-propan-2-yloxy-6-prop-2-enoxyhexane
SMILESC=CCOCCCCCCOC(C)C
InChIInChI=1S/C12H24O2/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyAHQKZJBVEVHBHL-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-6-prop-2-enoxyhexane?
The IUPAC name of 1-propan-2-yloxy-6-prop-2-enoxyhexane (CID 59532874) is 1-propan-2-yloxy-6-prop-2-enoxyhexane.
What is the SMILES notation for 1-propan-2-yloxy-6-prop-2-enoxyhexane?
The canonical SMILES for 1-propan-2-yloxy-6-prop-2-enoxyhexane is C=CCOCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxy-6-prop-2-enoxyhexane?
The InChIKey is AHQKZJBVEVHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-9-13-10-7-5-6-8-11-14-12(2)3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 1-propan-2-yloxy-6-prop-2-enoxyhexane?
1-propan-2-yloxy-6-prop-2-enoxyhexane has a molecular weight of 200.32 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-6-prop-2-enoxyhexane is sourced from PubChem (CID 59532874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).