6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene

C17H23Cl — CID 83931918

IUPAC6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC/C=C\C(C)Cc1cc2c(cc1Cl)CCCC2
InChIInChI=1S/C17H23Cl/c1-3-4-7-13(2)10-16-11-14-8-5-6-9-15(14)12-17(16)18/h4,7,11-13H,3,5-6,8-10H2,1-2H3/b7-4-
InChIKeyOESWJLMPZAJQRQ-DAXSKMNVSA-N
MW262.82 g/mol
LogP5.36
Rot. Bonds4

About 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene

6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 83931918) has the molecular formula C17H23Cl and a molecular weight of 262.82 g/mol. Its IUPAC name is 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID83931918
Molecular FormulaC17H23Cl
Molecular Weight262.82 g/mol
Exact Mass262.15
IUPAC Name6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC/C=C\C(C)Cc1cc2c(cc1Cl)CCCC2
InChIInChI=1S/C17H23Cl/c1-3-4-7-13(2)10-16-11-14-8-5-6-9-15(14)12-17(16)18/h4,7,11-13H,3,5-6,8-10H2,1-2H3/b7-4-
InChIKeyOESWJLMPZAJQRQ-DAXSKMNVSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene (CID 83931918) is 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene is CC/C=C\C(C)Cc1cc2c(cc1Cl)CCCC2.
What is the InChIKey of 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OESWJLMPZAJQRQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C17H23Cl/c1-3-4-7-13(2)10-16-11-14-8-5-6-9-15(14)12-17(16)18/h4,7,11-13H,3,5-6,8-10H2,1-2H3/b7-4-.
What are the key properties of 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene?
6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 262.82 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(Z)-2-methylhex-3-enyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 83931918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).