6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene

C16H20 — CID 123741556

IUPAC6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene
SMILESC=CCC(=C)C1=CC23CC2C3CC(C)C=C1
InChIInChI=1S/C16H20/c1-4-5-12(3)13-7-6-11(2)8-14-15-10-16(14,15)9-13/h4,6-7,9,11,14-15H,1,3,5,8,10H2,2H3
InChIKeyUQKZFVDATRZQHB-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.28
Rot. Bonds3

About 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene

6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene (PubChem CID 123741556) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene.

Molecular Properties

Compound Name6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene
PubChem CID123741556
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene
SMILESC=CCC(=C)C1=CC23CC2C3CC(C)C=C1
InChIInChI=1S/C16H20/c1-4-5-12(3)13-7-6-11(2)8-14-15-10-16(14,15)9-13/h4,6-7,9,11,14-15H,1,3,5,8,10H2,2H3
InChIKeyUQKZFVDATRZQHB-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene?
The IUPAC name of 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene (CID 123741556) is 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene.
What is the SMILES notation for 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene?
The canonical SMILES for 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene is C=CCC(=C)C1=CC23CC2C3CC(C)C=C1.
What is the InChIKey of 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene?
The InChIKey is UQKZFVDATRZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-5-12(3)13-7-6-11(2)8-14-15-10-16(14,15)9-13/h4,6-7,9,11,14-15H,1,3,5,8,10H2,2H3.
What are the key properties of 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene?
6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene has a molecular weight of 212.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-penta-1,4-dien-2-yltricyclo[6.2.0.01,9]deca-2,4-diene is sourced from PubChem (CID 123741556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).