1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene

C13H17I — CID 12003922

IUPAC1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene
SMILESCCCC#C/C=C(\I)C1=CCCCC1
InChIInChI=1S/C13H17I/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h9,11H,2-3,5-7,10H2,1H3/b13-11-
InChIKeyRJGIYJGKTQLSFQ-QBFSEMIESA-N
MW300.18 g/mol
LogP4.61
Rot. Bonds2

About 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene

1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene (PubChem CID 12003922) has the molecular formula C13H17I and a molecular weight of 300.18 g/mol. Its IUPAC name is 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene
PubChem CID12003922
Molecular FormulaC13H17I
Molecular Weight300.18 g/mol
Exact Mass300.04
IUPAC Name1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene
SMILESCCCC#C/C=C(\I)C1=CCCCC1
InChIInChI=1S/C13H17I/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h9,11H,2-3,5-7,10H2,1H3/b13-11-
InChIKeyRJGIYJGKTQLSFQ-QBFSEMIESA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Iodoethynyl)cyclohexene
CID 10988113
1-Hex-1-ynyl-cyclohexene
CID 11147892
(E,4Z)-4-(iodomethylidene)non-2-ene
CID 101263094
1-Ethynyl-2-(2-methylprop-1-enyl)cyclohexene
CID 121015060
1-ethynyl-2-[(E)-2-methylbut-1-enyl]cyclohexene
CID 135038434
(E)-6-hex-1-en-2-yldodec-5-en-7-yne
CID 135061698
1-(1-Cyclohexenyl)-3-methyl-3-hepten-1-yne
CID 5354065
1-[(Z)-2-butyltellanyl-2-iodoethenyl]cyclohexene
CID 101009805
1-[(2S)-2-iodopropyl]cyclohexa-1,3-diene
CID 66665043
5-Iodo-1,4-dimethylcyclohexa-1,3-diene
CID 68064122
1-[(E)-5-iodohex-2-en-2-yl]-2-methylcyclohexa-1,3-diene
CID 70258127
1-[(Z)-hept-4-enyl]-4-iodocyclohexa-1,3-diene
CID 70994432

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene?
The IUPAC name of 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene (CID 12003922) is 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene is CCCC#C/C=C(\I)C1=CCCCC1.
What is the InChIKey of 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene?
The InChIKey is RJGIYJGKTQLSFQ-QBFSEMIESA-N. The full InChI is InChI=1S/C13H17I/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h9,11H,2-3,5-7,10H2,1H3/b13-11-.
What are the key properties of 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene?
1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene has a molecular weight of 300.18 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-iodohept-1-en-3-ynyl]cyclohexene is sourced from PubChem (CID 12003922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).