(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene

C10H18O — CID 22289762

IUPAC(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene
SMILESCC(C)/C=C/O/C=C/C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h5-10H,1-4H3/b7-5+,8-6+
InChIKeyKVZSDCISYUIXPS-KQQUZDAGSA-N
MW154.25 g/mol
LogP3.34
Rot. Bonds4

About (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene

(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene (PubChem CID 22289762) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene.

Molecular Properties

Compound Name(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene
PubChem CID22289762
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene
SMILESCC(C)/C=C/O/C=C/C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h5-10H,1-4H3/b7-5+,8-6+
InChIKeyKVZSDCISYUIXPS-KQQUZDAGSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene?
The IUPAC name of (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene (CID 22289762) is (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene.
What is the SMILES notation for (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene?
The canonical SMILES for (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene is CC(C)/C=C/O/C=C/C(C)C.
What is the InChIKey of (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene?
The InChIKey is KVZSDCISYUIXPS-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h5-10H,1-4H3/b7-5+,8-6+.
What are the key properties of (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene?
(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene has a molecular weight of 154.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene is sourced from PubChem (CID 22289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).