[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene

C16H19ClO — CID 67923189

IUPAC[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene
SMILESClCCCC#CCOCC/C=C\c1ccccc1
InChIInChI=1S/C16H19ClO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-6,10-12H,1,7,9,13-15H2/b12-6-
InChIKeyYSSRBJYLBDOATO-SDQBBNPISA-N
MW262.78 g/mol
LogP4.13
Rot. Bonds7

About [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene

[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene (PubChem CID 67923189) has the molecular formula C16H19ClO and a molecular weight of 262.78 g/mol. Its IUPAC name is [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene
PubChem CID67923189
Molecular FormulaC16H19ClO
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Name[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene
SMILESClCCCC#CCOCC/C=C\c1ccccc1
InChIInChI=1S/C16H19ClO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-6,10-12H,1,7,9,13-15H2/b12-6-
InChIKeyYSSRBJYLBDOATO-SDQBBNPISA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.13
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-8-chlorooct-1-en-4-ynyl]benzene
CID 14322104
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
2-(4-phenylbut-3-enoxy)ethylbenzene
CID 175183681
5-phenoxypent-1-enylbenzene
CID 173201484
5-ethoxypent-1-enylbenzene
CID 54285670
[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
CID 135079096
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
4-phenylbut-3-enyl formate
CID 91350820
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
hex-1-en-5-ynylbenzene
CID 54176357
6-phenylhex-5-enoxysilane
CID 123359434

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene?
The IUPAC name of [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene (CID 67923189) is [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene.
What is the SMILES notation for [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene?
The canonical SMILES for [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene is ClCCCC#CCOCC/C=C\c1ccccc1.
What is the InChIKey of [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene?
The InChIKey is YSSRBJYLBDOATO-SDQBBNPISA-N. The full InChI is InChI=1S/C16H19ClO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-6,10-12H,1,7,9,13-15H2/b12-6-.
What are the key properties of [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene?
[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene has a molecular weight of 262.78 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene is sourced from PubChem (CID 67923189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).