5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene

C10H16I- — CID 163742119

IUPAC5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene
SMILESC[I-]C1C=CC=CC1C(C)C
InChIInChI=1S/C10H16I/c1-8(2)9-6-4-5-7-10(9)11-3/h4-10H,1-3H3/q-1
InChIKeyOUUIGFDGSNCSOO-UHFFFAOYSA-N
MW263.14 g/mol
LogP-0.53
Rot. Bonds2

About 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene

5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene (PubChem CID 163742119) has the molecular formula C10H16I- and a molecular weight of 263.14 g/mol. Its IUPAC name is 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene
PubChem CID163742119
Molecular FormulaC10H16I-
Molecular Weight263.14 g/mol
Exact Mass263.03
IUPAC Name5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene
SMILESC[I-]C1C=CC=CC1C(C)C
InChIInChI=1S/C10H16I/c1-8(2)9-6-4-5-7-10(9)11-3/h4-10H,1-3H3/q-1
InChIKeyOUUIGFDGSNCSOO-UHFFFAOYSA-N
XLogP-0.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 5-0.53
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'}

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Related Compounds

5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene
CID 123733561
2-methyl-3-propan-2-yl-2,3-dihydropyridine
CID 134320651
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 90950295
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
1-methyl-4-propan-2-yl-3a,4-dihydroindol-6-amine
CID 167075156
3-methyl-4-propan-2-yl-3,4-dihydropyridazine
CID 129093179
1,4-ditert-butyl-3-propan-2-ylcyclobutene
CID 146899130
5,6-dimethylcyclohexa-1,3-diene
CID 564578

Frequently Asked Questions

What is the IUPAC name of 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene (CID 163742119) is 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene is C[I-]C1C=CC=CC1C(C)C.
What is the InChIKey of 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is OUUIGFDGSNCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16I/c1-8(2)9-6-4-5-7-10(9)11-3/h4-10H,1-3H3/q-1.
What are the key properties of 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene?
5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 263.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyliodanuidyl-6-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 163742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).