1-[(Z)-6-chlorohex-1-enyl]naphthalene

C16H17Cl — CID 11842886

IUPAC1-[(Z)-6-chlorohex-1-enyl]naphthalene
SMILESClCCCC/C=C\c1cccc2ccccc12
InChIInChI=1S/C16H17Cl/c17-13-6-2-1-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h3-5,7-12H,1-2,6,13H2/b8-3-
InChIKeyZBELROLDVBZXSB-BAQGIRSFSA-N
MW244.77 g/mol
LogP5.26
Rot. Bonds5

About 1-[(Z)-6-chlorohex-1-enyl]naphthalene

1-[(Z)-6-chlorohex-1-enyl]naphthalene (PubChem CID 11842886) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-[(Z)-6-chlorohex-1-enyl]naphthalene.

Molecular Properties

Compound Name1-[(Z)-6-chlorohex-1-enyl]naphthalene
PubChem CID11842886
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-[(Z)-6-chlorohex-1-enyl]naphthalene
SMILESClCCCC/C=C\c1cccc2ccccc12
InChIInChI=1S/C16H17Cl/c17-13-6-2-1-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h3-5,7-12H,1-2,6,13H2/b8-3-
InChIKeyZBELROLDVBZXSB-BAQGIRSFSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6-chlorohex-1-enyl]naphthalene?
The IUPAC name of 1-[(Z)-6-chlorohex-1-enyl]naphthalene (CID 11842886) is 1-[(Z)-6-chlorohex-1-enyl]naphthalene.
What is the SMILES notation for 1-[(Z)-6-chlorohex-1-enyl]naphthalene?
The canonical SMILES for 1-[(Z)-6-chlorohex-1-enyl]naphthalene is ClCCCC/C=C\c1cccc2ccccc12.
What is the InChIKey of 1-[(Z)-6-chlorohex-1-enyl]naphthalene?
The InChIKey is ZBELROLDVBZXSB-BAQGIRSFSA-N. The full InChI is InChI=1S/C16H17Cl/c17-13-6-2-1-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h3-5,7-12H,1-2,6,13H2/b8-3-.
What are the key properties of 1-[(Z)-6-chlorohex-1-enyl]naphthalene?
1-[(Z)-6-chlorohex-1-enyl]naphthalene has a molecular weight of 244.77 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-chlorohex-1-enyl]naphthalene is sourced from PubChem (CID 11842886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).