1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene

C26H35I — CID 89170763

IUPAC1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene
SMILESC=CC1C2=CCC(I)C=C2C(C)(C)C1CCC1CC/C=C\C=C/C(=C)CC1
InChIInChI=1S/C26H35I/c1-5-22-23-16-15-21(27)18-25(23)26(3,4)24(22)17-14-20-11-9-7-6-8-10-19(2)12-13-20/h5-8,10,16,18,20-22,24H,1-2,9,11-15,17H2,3-4H3/b7-6-,10-8-
InChIKeyKVWWIMAVPJNLOQ-INZNQPOWSA-N
MW474.47 g/mol
LogP8.14
Rot. Bonds4

About 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene

1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene (PubChem CID 89170763) has the molecular formula C26H35I and a molecular weight of 474.47 g/mol. Its IUPAC name is 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene.

Molecular Properties

Compound Name1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene
PubChem CID89170763
Molecular FormulaC26H35I
Molecular Weight474.47 g/mol
Exact Mass474.18
IUPAC Name1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene
SMILESC=CC1C2=CCC(I)C=C2C(C)(C)C1CCC1CC/C=C\C=C/C(=C)CC1
InChIInChI=1S/C26H35I/c1-5-22-23-16-15-21(27)18-25(23)26(3,4)24(22)17-14-20-11-9-7-6-8-10-19(2)12-13-20/h5-8,10,16,18,20-22,24H,1-2,9,11-15,17H2,3-4H3/b7-6-,10-8-
InChIKeyKVWWIMAVPJNLOQ-INZNQPOWSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 58.14
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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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene?
The IUPAC name of 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene (CID 89170763) is 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene.
What is the SMILES notation for 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene?
The canonical SMILES for 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene is C=CC1C2=CCC(I)C=C2C(C)(C)C1CCC1CC/C=C\C=C/C(=C)CC1.
What is the InChIKey of 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene?
The InChIKey is KVWWIMAVPJNLOQ-INZNQPOWSA-N. The full InChI is InChI=1S/C26H35I/c1-5-22-23-16-15-21(27)18-25(23)26(3,4)24(22)17-14-20-11-9-7-6-8-10-19(2)12-13-20/h5-8,10,16,18,20-22,24H,1-2,9,11-15,17H2,3-4H3/b7-6-,10-8-.
What are the key properties of 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene?
1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene has a molecular weight of 474.47 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-iodo-3,3-dimethyl-2-[2-[(4Z,6Z)-8-methylidenecyclodeca-4,6-dien-1-yl]ethyl]-1,2,5,6-tetrahydroindene is sourced from PubChem (CID 89170763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).