(Z)-1-butoxy-4-chlorobut-2-ene

C8H15ClO — CID 14686667

IUPAC(Z)-1-butoxy-4-chlorobut-2-ene
SMILESCCCCOC/C=C\CCl
InChIInChI=1S/C8H15ClO/c1-2-3-7-10-8-5-4-6-9/h4-5H,2-3,6-8H2,1H3/b5-4-
InChIKeyYMBJRRKFNMRARS-PLNGDYQASA-N
MW162.66 g/mol
LogP2.60
Rot. Bonds6

About (Z)-1-butoxy-4-chlorobut-2-ene

(Z)-1-butoxy-4-chlorobut-2-ene (PubChem CID 14686667) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (Z)-1-butoxy-4-chlorobut-2-ene.

Molecular Properties

Compound Name(Z)-1-butoxy-4-chlorobut-2-ene
PubChem CID14686667
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(Z)-1-butoxy-4-chlorobut-2-ene
SMILESCCCCOC/C=C\CCl
InChIInChI=1S/C8H15ClO/c1-2-3-7-10-8-5-4-6-9/h4-5H,2-3,6-8H2,1H3/b5-4-
InChIKeyYMBJRRKFNMRARS-PLNGDYQASA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-enoxybutane
CID 543904
(E)-4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]but-2-ene-1-thiol
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4-(2-butoxyethoxy)but-2-en-1-amine
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1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
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(E)-5-butoxypent-3-enenitrile
CID 19376961
(Z)-4-dodecoxybut-2-en-1-ol
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3-butoxy-N-ethylprop-1-en-1-amine
CID 150350485
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
CID 15327011
(2E,4E)-6-butoxyhexa-2,4-dienoic acid
CID 88991006
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butoxy-4-chlorobut-2-ene?
The IUPAC name of (Z)-1-butoxy-4-chlorobut-2-ene (CID 14686667) is (Z)-1-butoxy-4-chlorobut-2-ene.
What is the SMILES notation for (Z)-1-butoxy-4-chlorobut-2-ene?
The canonical SMILES for (Z)-1-butoxy-4-chlorobut-2-ene is CCCCOC/C=C\CCl.
What is the InChIKey of (Z)-1-butoxy-4-chlorobut-2-ene?
The InChIKey is YMBJRRKFNMRARS-PLNGDYQASA-N. The full InChI is InChI=1S/C8H15ClO/c1-2-3-7-10-8-5-4-6-9/h4-5H,2-3,6-8H2,1H3/b5-4-.
What are the key properties of (Z)-1-butoxy-4-chlorobut-2-ene?
(Z)-1-butoxy-4-chlorobut-2-ene has a molecular weight of 162.66 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butoxy-4-chlorobut-2-ene is sourced from PubChem (CID 14686667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).