(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol

C13H18O — CID 162403574

IUPAC(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol
SMILESOC1C2C=CC1[C@@H]1CC/C=C\CC[C@H]21
InChIInChI=1S/C13H18O/c14-13-11-7-8-12(13)10-6-4-2-1-3-5-9(10)11/h1-2,7-14H,3-6H2/b2-1-/t9-,10+,11?,12?,13?
InChIKeyIJVXPQCWGXWYQL-LZRYXJLPSA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds

About (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol

(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol (PubChem CID 162403574) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol.

Molecular Properties

Compound Name(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol
PubChem CID162403574
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol
SMILESOC1C2C=CC1[C@@H]1CC/C=C\CC[C@H]21
InChIInChI=1S/C13H18O/c14-13-11-7-8-12(13)10-6-4-2-1-3-5-9(10)11/h1-2,7-14H,3-6H2/b2-1-/t9-,10+,11?,12?,13?
InChIKeyIJVXPQCWGXWYQL-LZRYXJLPSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol?
The IUPAC name of (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol (CID 162403574) is (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol.
What is the SMILES notation for (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol?
The canonical SMILES for (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol is OC1C2C=CC1[C@@H]1CC/C=C\CC[C@H]21.
What is the InChIKey of (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol?
The InChIKey is IJVXPQCWGXWYQL-LZRYXJLPSA-N. The full InChI is InChI=1S/C13H18O/c14-13-11-7-8-12(13)10-6-4-2-1-3-5-9(10)11/h1-2,7-14H,3-6H2/b2-1-/t9-,10+,11?,12?,13?.
What are the key properties of (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol?
(2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol has a molecular weight of 190.29 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5Z,9S)-tricyclo[8.2.1.02,9]trideca-5,11-dien-13-ol is sourced from PubChem (CID 162403574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).