4-chlorobut-2-enoxycyclobutane

C8H13ClO — CID 77051446

IUPAC4-chlorobut-2-enoxycyclobutane
SMILESClCC=CCOC1CCC1
InChIInChI=1S/C8H13ClO/c9-6-1-2-7-10-8-4-3-5-8/h1-2,8H,3-7H2
InChIKeyHBSFDARCZBGPSX-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.35
Rot. Bonds4

About 4-chlorobut-2-enoxycyclobutane

4-chlorobut-2-enoxycyclobutane (PubChem CID 77051446) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 4-chlorobut-2-enoxycyclobutane.

Molecular Properties

Compound Name4-chlorobut-2-enoxycyclobutane
PubChem CID77051446
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name4-chlorobut-2-enoxycyclobutane
SMILESClCC=CCOC1CCC1
InChIInChI=1S/C8H13ClO/c9-6-1-2-7-10-8-4-3-5-8/h1-2,8H,3-7H2
InChIKeyHBSFDARCZBGPSX-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667
[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]oxycyclobutane
CID 88273138
(E)-1-butoxy-4-chlorobut-2-ene
CID 10888245
(E)-1-chloro-4-propan-2-yloxybut-2-ene
CID 64682086
(E)-1-butan-2-yloxy-4-chlorobut-2-ene
CID 64683150
1-Butoxy-4-chlorobut-2-ene
CID 71340876
4-Chlorobut-2-enoxycyclopentane
CID 77051321
1-Chloro-4-propan-2-yloxybut-2-ene
CID 77051604
1-Butan-2-yloxy-4-chlorobut-2-ene
CID 77051880
2-[(E)-4-chlorobut-2-enoxy]pentane
CID 102981435
(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene
CID 143371875

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-2-enoxycyclobutane?
The IUPAC name of 4-chlorobut-2-enoxycyclobutane (CID 77051446) is 4-chlorobut-2-enoxycyclobutane.
What is the SMILES notation for 4-chlorobut-2-enoxycyclobutane?
The canonical SMILES for 4-chlorobut-2-enoxycyclobutane is ClCC=CCOC1CCC1.
What is the InChIKey of 4-chlorobut-2-enoxycyclobutane?
The InChIKey is HBSFDARCZBGPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c9-6-1-2-7-10-8-4-3-5-8/h1-2,8H,3-7H2.
What are the key properties of 4-chlorobut-2-enoxycyclobutane?
4-chlorobut-2-enoxycyclobutane has a molecular weight of 160.64 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-2-enoxycyclobutane is sourced from PubChem (CID 77051446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).