(Z)-4-butoxypent-2-ene

C9H18O — CID 134981390

IUPAC(Z)-4-butoxypent-2-ene
SMILESC/C=C\C(C)OCCCC
InChIInChI=1S/C9H18O/c1-4-6-8-10-9(3)7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyRWRVXBRICDKZIH-ALCCZGGFSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds5

About (Z)-4-butoxypent-2-ene

(Z)-4-butoxypent-2-ene (PubChem CID 134981390) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (Z)-4-butoxypent-2-ene.

Molecular Properties

Compound Name(Z)-4-butoxypent-2-ene
PubChem CID134981390
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(Z)-4-butoxypent-2-ene
SMILESC/C=C\C(C)OCCCC
InChIInChI=1S/C9H18O/c1-4-6-8-10-9(3)7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyRWRVXBRICDKZIH-ALCCZGGFSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-butoxypent-2-ene?
The IUPAC name of (Z)-4-butoxypent-2-ene (CID 134981390) is (Z)-4-butoxypent-2-ene.
What is the SMILES notation for (Z)-4-butoxypent-2-ene?
The canonical SMILES for (Z)-4-butoxypent-2-ene is C/C=C\C(C)OCCCC.
What is the InChIKey of (Z)-4-butoxypent-2-ene?
The InChIKey is RWRVXBRICDKZIH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-8-10-9(3)7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-.
What are the key properties of (Z)-4-butoxypent-2-ene?
(Z)-4-butoxypent-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-butoxypent-2-ene is sourced from PubChem (CID 134981390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).