1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene

C16H22 — CID 162687974

IUPAC1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.Cc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C11H14.C5H8/c1-8-3-5-10-6-4-9(2)11(10)7-8;1-4-5(2)3/h3,5,7,9H,4,6H2,1-2H3;4H,1-2H2,3H3
InChIKeyXAWDOSZVHLPRPT-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.79
Rot. Bonds1

About 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene

1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene (PubChem CID 162687974) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
PubChem CID162687974
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.Cc1ccc2c(c1)C(C)CC2
InChIInChI=1S/C11H14.C5H8/c1-8-3-5-10-6-4-9(2)11(10)7-8;1-4-5(2)3/h3,5,7,9H,4,6H2,1-2H3;4H,1-2H2,3H3
InChIKeyXAWDOSZVHLPRPT-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene?
The IUPAC name of 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene (CID 162687974) is 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene?
The canonical SMILES for 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene is C=CC(=C)C.Cc1ccc2c(c1)C(C)CC2.
What is the InChIKey of 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene?
The InChIKey is XAWDOSZVHLPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C5H8/c1-8-3-5-10-6-4-9(2)11(10)7-8;1-4-5(2)3/h3,5,7,9H,4,6H2,1-2H3;4H,1-2H2,3H3.
What are the key properties of 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene?
1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydro-1H-indene;2-methylbuta-1,3-diene is sourced from PubChem (CID 162687974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).