4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane

C15H23I — CID 143326034

IUPAC4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCC1(C)CC2CC1C1C3CC(I)C(C3)C21
InChIInChI=1S/C15H23I/c1-3-15(2)7-9-5-11(15)14-8-4-10(13(9)14)12(16)6-8/h8-14H,3-7H2,1-2H3
InChIKeyGYZXNEMBRMHHSN-UHFFFAOYSA-N
MW330.25 g/mol
LogP4.52
Rot. Bonds1

About 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane

4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 143326034) has the molecular formula C15H23I and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID143326034
Molecular FormulaC15H23I
Molecular Weight330.25 g/mol
Exact Mass330.08
IUPAC Name4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCC1(C)CC2CC1C1C3CC(I)C(C3)C21
InChIInChI=1S/C15H23I/c1-3-15(2)7-9-5-11(15)14-8-4-10(13(9)14)12(16)6-8/h8-14H,3-7H2,1-2H3
InChIKeyGYZXNEMBRMHHSN-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
CID 20661456
2-(2-ethyl-2-methylcyclopropyl)-3-methylbicyclo[2.1.0]pentane
CID 123925093
11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane
CID 170200272
3-methyl-1-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)but-3-en-2-one
CID 163619518
1-ethyl-2-(2-ethyl-2-methylcyclopropyl)-3-methylcyclopropane
CID 90879674
2,4-diethyl-2-methylbicyclo[3.2.0]heptane
CID 163795168
9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 138520001
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
(4-ethyl-9-isocyano-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 22898195
4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 90005074
(7R)-10-ethenyl-11-ethyl-11-methyltetracyclo[10.2.0.02,5.03,14]tetradecane-7-thiol
CID 174045718

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 143326034) is 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane is CCC1(C)CC2CC1C1C3CC(I)C(C3)C21.
What is the InChIKey of 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is GYZXNEMBRMHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23I/c1-3-15(2)7-9-5-11(15)14-8-4-10(13(9)14)12(16)6-8/h8-14H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 330.25 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 143326034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).