(Z)-1-(2-methylprop-2-enoxy)hex-3-ene

C10H18O — CID 59870763

IUPAC(Z)-1-(2-methylprop-2-enoxy)hex-3-ene
SMILESC=C(C)COCC/C=C\CC
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-11-9-10(2)3/h5-6H,2,4,7-9H2,1,3H3/b6-5-
InChIKeyLIWYPQFTKLABSJ-WAYWQWQTSA-N
MW154.25 g/mol
LogP2.94
Rot. Bonds6

About (Z)-1-(2-methylprop-2-enoxy)hex-3-ene

(Z)-1-(2-methylprop-2-enoxy)hex-3-ene (PubChem CID 59870763) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-1-(2-methylprop-2-enoxy)hex-3-ene.

Molecular Properties

Compound Name(Z)-1-(2-methylprop-2-enoxy)hex-3-ene
PubChem CID59870763
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-1-(2-methylprop-2-enoxy)hex-3-ene
SMILESC=C(C)COCC/C=C\CC
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-11-9-10(2)3/h5-6H,2,4,7-9H2,1,3H3/b6-5-
InChIKeyLIWYPQFTKLABSJ-WAYWQWQTSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.94
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 (Z)-1-(2-methylprop-2-enoxy)hex-3-ene?
The IUPAC name of (Z)-1-(2-methylprop-2-enoxy)hex-3-ene (CID 59870763) is (Z)-1-(2-methylprop-2-enoxy)hex-3-ene.
What is the SMILES notation for (Z)-1-(2-methylprop-2-enoxy)hex-3-ene?
The canonical SMILES for (Z)-1-(2-methylprop-2-enoxy)hex-3-ene is C=C(C)COCC/C=C\CC.
What is the InChIKey of (Z)-1-(2-methylprop-2-enoxy)hex-3-ene?
The InChIKey is LIWYPQFTKLABSJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-11-9-10(2)3/h5-6H,2,4,7-9H2,1,3H3/b6-5-.
What are the key properties of (Z)-1-(2-methylprop-2-enoxy)hex-3-ene?
(Z)-1-(2-methylprop-2-enoxy)hex-3-ene has a molecular weight of 154.25 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylprop-2-enoxy)hex-3-ene is sourced from PubChem (CID 59870763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).