(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol

C15H20O2 — CID 23425963

IUPAC(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol
SMILESCC1=CC2CC(C)C1(C)[C@@H](O)Cc1ccoc12
InChIInChI=1S/C15H20O2/c1-9-6-12-7-10(2)15(9,3)13(16)8-11-4-5-17-14(11)12/h4-6,10,12-13,16H,7-8H2,1-3H3/t10?,12?,13-,15?/m0/s1
InChIKeyIJVZDWKOTWSBKM-MFHNVLSASA-N
MW232.32 g/mol
LogP3.27
Rot. Bonds

About (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol

(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol (PubChem CID 23425963) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol.

Molecular Properties

Compound Name(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol
PubChem CID23425963
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol
SMILESCC1=CC2CC(C)C1(C)[C@@H](O)Cc1ccoc12
InChIInChI=1S/C15H20O2/c1-9-6-12-7-10(2)15(9,3)13(16)8-11-4-5-17-14(11)12/h4-6,10,12-13,16H,7-8H2,1-3H3/t10?,12?,13-,15?/m0/s1
InChIKeyIJVZDWKOTWSBKM-MFHNVLSASA-N
XLogP3.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol?
The IUPAC name of (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol (CID 23425963) is (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol.
What is the SMILES notation for (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol?
The canonical SMILES for (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol is CC1=CC2CC(C)C1(C)[C@@H](O)Cc1ccoc12.
What is the InChIKey of (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol?
The InChIKey is IJVZDWKOTWSBKM-MFHNVLSASA-N. The full InChI is InChI=1S/C15H20O2/c1-9-6-12-7-10(2)15(9,3)13(16)8-11-4-5-17-14(11)12/h4-6,10,12-13,16H,7-8H2,1-3H3/t10?,12?,13-,15?/m0/s1.
What are the key properties of (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol?
(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol has a molecular weight of 232.32 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol is sourced from PubChem (CID 23425963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).