11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane

C16H25I — CID 170200272

IUPAC11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(C)C1(C)CC2CC1C1C3CCC(C3I)C21
InChIInChI=1S/C16H25I/c1-8(2)16(3)7-9-6-12(16)14-11-5-4-10(13(9)14)15(11)17/h8-15H,4-7H2,1-3H3
InChIKeyXPCGKHPSRZMMRS-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.76
Rot. Bonds1

About 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane

11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 170200272) has the molecular formula C16H25I and a molecular weight of 344.28 g/mol. Its IUPAC name is 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID170200272
Molecular FormulaC16H25I
Molecular Weight344.28 g/mol
Exact Mass344.10
IUPAC Name11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC(C)C1(C)CC2CC1C1C3CCC(C3I)C21
InChIInChI=1S/C16H25I/c1-8(2)16(3)7-9-6-12(16)14-11-5-4-10(13(9)14)15(11)17/h8-15H,4-7H2,1-3H3
InChIKeyXPCGKHPSRZMMRS-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.76
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

14,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123435444
4-ethyl-9-iodo-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 143326034
methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium
CID 163155375
4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 20661446
tert-butyl (4-methyl-4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl) carbonate
CID 139797200
N,2-dimethyl-2-propan-2-ylcyclopropan-1-amine
CID 130855710
2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
CID 176797226
(3,5-diethyl-8-methyl-8-tricyclo[5.2.1.02,6]decanyl)-methoxymethanol
CID 71026773
(1R)-1-propan-2-yltricyclo[5.1.0.02,4]octane
CID 163620307
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355

Frequently Asked Questions

What is the IUPAC name of 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane (CID 170200272) is 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane is CC(C)C1(C)CC2CC1C1C3CCC(C3I)C21.
What is the InChIKey of 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is XPCGKHPSRZMMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25I/c1-8(2)16(3)7-9-6-12(16)14-11-5-4-10(13(9)14)15(11)17/h8-15H,4-7H2,1-3H3.
What are the key properties of 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane?
11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 344.28 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-iodo-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 170200272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).