(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene

C10H18O — CID 176949443

IUPAC(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene
SMILESC/C=C(\O/C=C/CC)C(C)C
InChIInChI=1S/C10H18O/c1-5-7-8-11-10(6-2)9(3)4/h6-9H,5H2,1-4H3/b8-7+,10-6-
InChIKeyVBRXLCCUGQRDQI-BGDUUMEQSA-N
MW154.25 g/mol
LogP3.49
Rot. Bonds4

About (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene

(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene (PubChem CID 176949443) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene.

Molecular Properties

Compound Name(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene
PubChem CID176949443
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene
SMILESC/C=C(\O/C=C/CC)C(C)C
InChIInChI=1S/C10H18O/c1-5-7-8-11-10(6-2)9(3)4/h6-9H,5H2,1-4H3/b8-7+,10-6-
InChIKeyVBRXLCCUGQRDQI-BGDUUMEQSA-N
XLogP3.49
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 ≤ 53.49
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 (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene?
The IUPAC name of (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene (CID 176949443) is (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene.
What is the SMILES notation for (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene?
The canonical SMILES for (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene is C/C=C(\O/C=C/CC)C(C)C.
What is the InChIKey of (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene?
The InChIKey is VBRXLCCUGQRDQI-BGDUUMEQSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-8-11-10(6-2)9(3)4/h6-9H,5H2,1-4H3/b8-7+,10-6-.
What are the key properties of (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene?
(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene has a molecular weight of 154.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene is sourced from PubChem (CID 176949443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).