2,3,4-trimethyl-1-prop-2-enoxyhexane

C12H24O — CID 59163674

IUPAC2,3,4-trimethyl-1-prop-2-enoxyhexane
SMILESC=CCOCC(C)C(C)C(C)CC
InChIInChI=1S/C12H24O/c1-6-8-13-9-11(4)12(5)10(3)7-2/h6,10-12H,1,7-9H2,2-5H3
InChIKeyFLJKJWXWTBVJDK-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds7

About 2,3,4-trimethyl-1-prop-2-enoxyhexane

2,3,4-trimethyl-1-prop-2-enoxyhexane (PubChem CID 59163674) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-prop-2-enoxyhexane.

Molecular Properties

Compound Name2,3,4-trimethyl-1-prop-2-enoxyhexane
PubChem CID59163674
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,3,4-trimethyl-1-prop-2-enoxyhexane
SMILESC=CCOCC(C)C(C)C(C)CC
InChIInChI=1S/C12H24O/c1-6-8-13-9-11(4)12(5)10(3)7-2/h6,10-12H,1,7-9H2,2-5H3
InChIKeyFLJKJWXWTBVJDK-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
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 2,3,4-trimethyl-1-prop-2-enoxyhexane?
The IUPAC name of 2,3,4-trimethyl-1-prop-2-enoxyhexane (CID 59163674) is 2,3,4-trimethyl-1-prop-2-enoxyhexane.
What is the SMILES notation for 2,3,4-trimethyl-1-prop-2-enoxyhexane?
The canonical SMILES for 2,3,4-trimethyl-1-prop-2-enoxyhexane is C=CCOCC(C)C(C)C(C)CC.
What is the InChIKey of 2,3,4-trimethyl-1-prop-2-enoxyhexane?
The InChIKey is FLJKJWXWTBVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-13-9-11(4)12(5)10(3)7-2/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 2,3,4-trimethyl-1-prop-2-enoxyhexane?
2,3,4-trimethyl-1-prop-2-enoxyhexane has a molecular weight of 184.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-prop-2-enoxyhexane is sourced from PubChem (CID 59163674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).