(E)-3-propan-2-yloxypent-2-ene

C8H16O — CID 6081250

IUPAC(E)-3-propan-2-yloxypent-2-ene
SMILESC/C=C(\CC)OC(C)C
InChIInChI=1S/C8H16O/c1-5-8(6-2)9-7(3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyQQGALPUNYCZAAN-VMPITWQZSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds3

About (E)-3-propan-2-yloxypent-2-ene

(E)-3-propan-2-yloxypent-2-ene (PubChem CID 6081250) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E)-3-propan-2-yloxypent-2-ene.

Molecular Properties

Compound Name(E)-3-propan-2-yloxypent-2-ene
PubChem CID6081250
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E)-3-propan-2-yloxypent-2-ene
SMILESC/C=C(\CC)OC(C)C
InChIInChI=1S/C8H16O/c1-5-8(6-2)9-7(3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyQQGALPUNYCZAAN-VMPITWQZSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
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-propan-2-yloxypent-2-ene?
The IUPAC name of (E)-3-propan-2-yloxypent-2-ene (CID 6081250) is (E)-3-propan-2-yloxypent-2-ene.
What is the SMILES notation for (E)-3-propan-2-yloxypent-2-ene?
The canonical SMILES for (E)-3-propan-2-yloxypent-2-ene is C/C=C(\CC)OC(C)C.
What is the InChIKey of (E)-3-propan-2-yloxypent-2-ene?
The InChIKey is QQGALPUNYCZAAN-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(6-2)9-7(3)4/h5,7H,6H2,1-4H3/b8-5+.
What are the key properties of (E)-3-propan-2-yloxypent-2-ene?
(E)-3-propan-2-yloxypent-2-ene has a molecular weight of 128.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propan-2-yloxypent-2-ene is sourced from PubChem (CID 6081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).