1-iodoprop-2-enylidenecyclohexane

C9H13I — CID 20765033

IUPAC1-iodoprop-2-enylidenecyclohexane
SMILESC=CC(I)=C1CCCCC1
InChIInChI=1S/C9H13I/c1-2-9(10)8-6-4-3-5-7-8/h2H,1,3-7H2
InChIKeyPCUYBIQYWORXHJ-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.83
Rot. Bonds1

About 1-iodoprop-2-enylidenecyclohexane

1-iodoprop-2-enylidenecyclohexane (PubChem CID 20765033) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-iodoprop-2-enylidenecyclohexane.

Molecular Properties

Compound Name1-iodoprop-2-enylidenecyclohexane
PubChem CID20765033
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name1-iodoprop-2-enylidenecyclohexane
SMILESC=CC(I)=C1CCCCC1
InChIInChI=1S/C9H13I/c1-2-9(10)8-6-4-3-5-7-8/h2H,1,3-7H2
InChIKeyPCUYBIQYWORXHJ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Allylidenecyclohexane
CID 138556
1-[(E)-2-iodoethenyl]cyclohexene
CID 10879043
1-Iodo-3-methylenecyclohex-1-ene
CID 21292189
[(E)-3-iodoprop-2-enylidene]cyclohexane
CID 11128640
(Z)-5-ethenyl-6-iododec-5-ene
CID 15211599
1-[(Z)-2-iodoethenyl]cyclohexene
CID 15311442
[(Z)-3-iodoprop-2-enylidene]cyclohexane
CID 100951016
1-Iodo-2-prop-2-enylbenzene-6-ide;rutherfordium
CID 134844587
1-Iodo-3-prop-2-enylbenzene-2-ide;rutherfordium
CID 134860925
6-Iodo-1,2,3,5-tetrahydroinden-5-ide;rutherfordium
CID 134860933
(Z)-5-iodo-6-[(Z)-2-iodoethenyl]dec-5-ene
CID 135086569
(4Z,6Z)-4,5,6-triethyl-7-iodonona-1,4,6-triene
CID 176421993

Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-2-enylidenecyclohexane?
The IUPAC name of 1-iodoprop-2-enylidenecyclohexane (CID 20765033) is 1-iodoprop-2-enylidenecyclohexane.
What is the SMILES notation for 1-iodoprop-2-enylidenecyclohexane?
The canonical SMILES for 1-iodoprop-2-enylidenecyclohexane is C=CC(I)=C1CCCCC1.
What is the InChIKey of 1-iodoprop-2-enylidenecyclohexane?
The InChIKey is PCUYBIQYWORXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I/c1-2-9(10)8-6-4-3-5-7-8/h2H,1,3-7H2.
What are the key properties of 1-iodoprop-2-enylidenecyclohexane?
1-iodoprop-2-enylidenecyclohexane has a molecular weight of 248.11 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-2-enylidenecyclohexane is sourced from PubChem (CID 20765033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).