prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene

C27H30 — CID 6453309

IUPACprop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=C(C)c1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H12.C9H10.C8H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h1-2,4-5,7-10H,3,6H2;3-7H,1H2,2H3;2-7H,1H2
InChIKeyFOSUQUPFLHTPQG-UHFFFAOYSA-N
MW354.54 g/mol
LogP7.43
Rot. Bonds2

About prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene

prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 6453309) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Nameprop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID6453309
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Nameprop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.C=C(C)c1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C10H12.C9H10.C8H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h1-2,4-5,7-10H,3,6H2;3-7H,1H2,2H3;2-7H,1H2
InChIKeyFOSUQUPFLHTPQG-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.43
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 prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 6453309) is prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2C3C=CC(C3)C2C1.C=C(C)c1ccccc1.C=Cc1ccccc1.
What is the InChIKey of prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is FOSUQUPFLHTPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10.C8H8/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h1-2,4-5,7-10H,3,6H2;3-7H,1H2,2H3;2-7H,1H2.
What are the key properties of prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene?
prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 354.54 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 6453309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).