(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene

C16H18 — CID 98158916

IUPAC(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
SMILESC1=C[C@@H]2CCC[C@@H](C=C1)C2c1ccccc1
InChIInChI=1S/C16H18/c1-2-7-13(8-3-1)16-14-9-4-5-10-15(16)12-6-11-14/h1-5,7-10,14-16H,6,11-12H2/t14-,15-/m1/s1
InChIKeyJGLDFDBRZIAVTE-HUUCEWRRSA-N
MW210.32 g/mol
LogP4.31
Rot. Bonds1

About (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene

(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene (PubChem CID 98158916) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene.

Molecular Properties

Compound Name(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
PubChem CID98158916
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene
SMILESC1=C[C@@H]2CCC[C@@H](C=C1)C2c1ccccc1
InChIInChI=1S/C16H18/c1-2-7-13(8-3-1)16-14-9-4-5-10-15(16)12-6-11-14/h1-5,7-10,14-16H,6,11-12H2/t14-,15-/m1/s1
InChIKeyJGLDFDBRZIAVTE-HUUCEWRRSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene?
The IUPAC name of (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene (CID 98158916) is (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene.
What is the SMILES notation for (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene?
The canonical SMILES for (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene is C1=C[C@@H]2CCC[C@@H](C=C1)C2c1ccccc1.
What is the InChIKey of (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene?
The InChIKey is JGLDFDBRZIAVTE-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H18/c1-2-7-13(8-3-1)16-14-9-4-5-10-15(16)12-6-11-14/h1-5,7-10,14-16H,6,11-12H2/t14-,15-/m1/s1.
What are the key properties of (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene?
(1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene has a molecular weight of 210.32 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-10-phenylbicyclo[4.3.1]deca-2,4-diene is sourced from PubChem (CID 98158916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).