2,6-dimethyl-8-prop-2-enoxyoct-2-ene

C13H24O — CID 11367599

IUPAC2,6-dimethyl-8-prop-2-enoxyoct-2-ene
SMILESC=CCOCCC(C)CCC=C(C)C
InChIInChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3
InChIKeyFANQMMZFHNTSOQ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds8

About 2,6-dimethyl-8-prop-2-enoxyoct-2-ene

2,6-dimethyl-8-prop-2-enoxyoct-2-ene (PubChem CID 11367599) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,6-dimethyl-8-prop-2-enoxyoct-2-ene.

Molecular Properties

Compound Name2,6-dimethyl-8-prop-2-enoxyoct-2-ene
PubChem CID11367599
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,6-dimethyl-8-prop-2-enoxyoct-2-ene
SMILESC=CCOCCC(C)CCC=C(C)C
InChIInChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3
InChIKeyFANQMMZFHNTSOQ-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-dimethyl-8-prop-2-enoxyoct-2-ene?
The IUPAC name of 2,6-dimethyl-8-prop-2-enoxyoct-2-ene (CID 11367599) is 2,6-dimethyl-8-prop-2-enoxyoct-2-ene.
What is the SMILES notation for 2,6-dimethyl-8-prop-2-enoxyoct-2-ene?
The canonical SMILES for 2,6-dimethyl-8-prop-2-enoxyoct-2-ene is C=CCOCCC(C)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyl-8-prop-2-enoxyoct-2-ene?
The InChIKey is FANQMMZFHNTSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,13H,1,6,8-11H2,2-4H3.
What are the key properties of 2,6-dimethyl-8-prop-2-enoxyoct-2-ene?
2,6-dimethyl-8-prop-2-enoxyoct-2-ene has a molecular weight of 196.33 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-prop-2-enoxyoct-2-ene is sourced from PubChem (CID 11367599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).