5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene

C15H17I — CID 166750866

IUPAC5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
SMILESC/C=C\C1=C(C)C(C)(C)c2ccc(I)cc21
InChIInChI=1S/C15H17I/c1-5-6-12-10(2)15(3,4)14-8-7-11(16)9-13(12)14/h5-9H,1-4H3/b6-5-
InChIKeyAVPRCVZGQYBJAC-WAYWQWQTSA-N
MW324.21 g/mol
LogP4.93
Rot. Bonds1

About 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene

5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene (PubChem CID 166750866) has the molecular formula C15H17I and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene.

Molecular Properties

Compound Name5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
PubChem CID166750866
Molecular FormulaC15H17I
Molecular Weight324.21 g/mol
Exact Mass324.04
IUPAC Name5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene
SMILESC/C=C\C1=C(C)C(C)(C)c2ccc(I)cc21
InChIInChI=1S/C15H17I/c1-5-6-12-10(2)15(3,4)14-8-7-11(16)9-13(12)14/h5-9H,1-4H3/b6-5-
InChIKeyAVPRCVZGQYBJAC-WAYWQWQTSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene?
The IUPAC name of 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene (CID 166750866) is 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene.
What is the SMILES notation for 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene?
The canonical SMILES for 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene is C/C=C\C1=C(C)C(C)(C)c2ccc(I)cc21.
What is the InChIKey of 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene?
The InChIKey is AVPRCVZGQYBJAC-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H17I/c1-5-6-12-10(2)15(3,4)14-8-7-11(16)9-13(12)14/h5-9H,1-4H3/b6-5-.
What are the key properties of 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene?
5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene has a molecular weight of 324.21 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,1,2-trimethyl-3-[(Z)-prop-1-enyl]indene is sourced from PubChem (CID 166750866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).