1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane

C18H29I — CID 163474463

IUPAC1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(C(I)C=C)CC2)CC1
InChIInChI=1S/C18H29I/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h3-4,14-18H,1-2,5-13H2
InChIKeySXDUIHKOLNEZKX-UHFFFAOYSA-N
MW372.33 g/mol
LogP6.16
Rot. Bonds5

About 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane

1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane (PubChem CID 163474463) has the molecular formula C18H29I and a molecular weight of 372.33 g/mol. Its IUPAC name is 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane
PubChem CID163474463
Molecular FormulaC18H29I
Molecular Weight372.33 g/mol
Exact Mass372.13
IUPAC Name1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(C(I)C=C)CC2)CC1
InChIInChI=1S/C18H29I/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h3-4,14-18H,1-2,5-13H2
InChIKeySXDUIHKOLNEZKX-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.33
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
carbonic acid;prop-2-enylcyclopropane
CID 67833665
1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 139748793
1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 173416619
2-(2,2-difluoroethenyl)-5-[4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599924
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
CID 143494169
2-[(3R)-3-prop-2-enylcyclopentyl]propanenitrile
CID 134250090
2-(4-prop-2-enylcyclohexyl)acetic acid
CID 67843737

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane (CID 163474463) is 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane is C=CCC1CCC(C2CCC(C(I)C=C)CC2)CC1.
What is the InChIKey of 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The InChIKey is SXDUIHKOLNEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29I/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h3-4,14-18H,1-2,5-13H2.
What are the key properties of 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane?
1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane has a molecular weight of 372.33 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoprop-2-enyl)-4-(4-prop-2-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 163474463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).