(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol

C13H18O — CID 139054615

IUPAC(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol
SMILESO[C@H]1C/C=C\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O/c14-12-5-3-1-2-4-11-9-6-7-10(8-9)13(11)12/h1,3,6-7,9-14H,2,4-5,8H2/b3-1-/t9-,10+,11-,12-,13+/m0/s1
InChIKeyGYSRZYMPMNKRHJ-XGQNXTRPSA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds

About (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol

(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol (PubChem CID 139054615) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol.

Molecular Properties

Compound Name(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol
PubChem CID139054615
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol
SMILESO[C@H]1C/C=C\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O/c14-12-5-3-1-2-4-11-9-6-7-10(8-9)13(11)12/h1,3,6-7,9-14H,2,4-5,8H2/b3-1-/t9-,10+,11-,12-,13+/m0/s1
InChIKeyGYSRZYMPMNKRHJ-XGQNXTRPSA-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 (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol?
The IUPAC name of (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol (CID 139054615) is (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol.
What is the SMILES notation for (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol?
The canonical SMILES for (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol is O[C@H]1C/C=C\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol?
The InChIKey is GYSRZYMPMNKRHJ-XGQNXTRPSA-N. The full InChI is InChI=1S/C13H18O/c14-12-5-3-1-2-4-11-9-6-7-10(8-9)13(11)12/h1,3,6-7,9-14H,2,4-5,8H2/b3-1-/t9-,10+,11-,12-,13+/m0/s1.
What are the key properties of (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol?
(1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-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 (1S,2R,3S,5Z,9S,10R)-tricyclo[8.2.1.02,9]trideca-5,11-dien-3-ol is sourced from PubChem (CID 139054615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).