(E)-4-methoxypent-2-ene

C6H12O — CID 5367912

IUPAC(E)-4-methoxypent-2-ene
SMILESC/C=C/C(C)OC
InChIInChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+
InChIKeyBHZPHJWPPWDASK-SNAWJCMRSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds2

About (E)-4-methoxypent-2-ene

(E)-4-methoxypent-2-ene (PubChem CID 5367912) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-4-methoxypent-2-ene.

Molecular Properties

Compound Name(E)-4-methoxypent-2-ene
PubChem CID5367912
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(E)-4-methoxypent-2-ene
SMILESC/C=C/C(C)OC
InChIInChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+
InChIKeyBHZPHJWPPWDASK-SNAWJCMRSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxypent-2-ene?
The IUPAC name of (E)-4-methoxypent-2-ene (CID 5367912) is (E)-4-methoxypent-2-ene.
What is the SMILES notation for (E)-4-methoxypent-2-ene?
The canonical SMILES for (E)-4-methoxypent-2-ene is C/C=C/C(C)OC.
What is the InChIKey of (E)-4-methoxypent-2-ene?
The InChIKey is BHZPHJWPPWDASK-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+.
What are the key properties of (E)-4-methoxypent-2-ene?
(E)-4-methoxypent-2-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxypent-2-ene is sourced from PubChem (CID 5367912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).