(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene

C18H20 — CID 102028127

IUPAC(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene
SMILESC1=C(c2ccccc2)C[C@H]2C[C@@H]1C1=C2CCCC1
InChIInChI=1S/C18H20/c1-2-6-13(7-3-1)14-10-15-12-16(11-14)18-9-5-4-8-17(15)18/h1-3,6-7,10,15-16H,4-5,8-9,11-12H2/t15-,16+/m1/s1
InChIKeyNRIWLMPGTRABQE-CVEARBPZSA-N
MW236.36 g/mol
LogP4.98
Rot. Bonds1

About (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene

(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene (PubChem CID 102028127) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene.

Molecular Properties

Compound Name(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene
PubChem CID102028127
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene
SMILESC1=C(c2ccccc2)C[C@H]2C[C@@H]1C1=C2CCCC1
InChIInChI=1S/C18H20/c1-2-6-13(7-3-1)14-10-15-12-16(11-14)18-9-5-4-8-17(15)18/h1-3,6-7,10,15-16H,4-5,8-9,11-12H2/t15-,16+/m1/s1
InChIKeyNRIWLMPGTRABQE-CVEARBPZSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.98
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 (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene?
The IUPAC name of (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene (CID 102028127) is (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene.
What is the SMILES notation for (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene?
The canonical SMILES for (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene is C1=C(c2ccccc2)C[C@H]2C[C@@H]1C1=C2CCCC1.
What is the InChIKey of (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene?
The InChIKey is NRIWLMPGTRABQE-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20/c1-2-6-13(7-3-1)14-10-15-12-16(11-14)18-9-5-4-8-17(15)18/h1-3,6-7,10,15-16H,4-5,8-9,11-12H2/t15-,16+/m1/s1.
What are the key properties of (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene?
(1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene has a molecular weight of 236.36 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-10-phenyltricyclo[6.3.1.02,7]dodeca-2(7),9-diene is sourced from PubChem (CID 102028127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).