(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene

C11H20O2 — CID 142815355

IUPAC(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene
SMILESC/C=C(\CC)OCO/C=C/C(C)C
InChIInChI=1S/C11H20O2/c1-5-11(6-2)13-9-12-8-7-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b8-7+,11-5+
InChIKeyLGIHGZGNQYTSOO-VAZWZHNFSA-N
MW184.28 g/mol
LogP3.46
Rot. Bonds6

About (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene

(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene (PubChem CID 142815355) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene.

Molecular Properties

Compound Name(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene
PubChem CID142815355
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene
SMILESC/C=C(\CC)OCO/C=C/C(C)C
InChIInChI=1S/C11H20O2/c1-5-11(6-2)13-9-12-8-7-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b8-7+,11-5+
InChIKeyLGIHGZGNQYTSOO-VAZWZHNFSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene?
The IUPAC name of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene (CID 142815355) is (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene.
What is the SMILES notation for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene?
The canonical SMILES for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene is C/C=C(\CC)OCO/C=C/C(C)C.
What is the InChIKey of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene?
The InChIKey is LGIHGZGNQYTSOO-VAZWZHNFSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(6-2)13-9-12-8-7-10(3)4/h5,7-8,10H,6,9H2,1-4H3/b8-7+,11-5+.
What are the key properties of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene?
(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene has a molecular weight of 184.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene is sourced from PubChem (CID 142815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).