(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one

C15H16O — CID 155930082

IUPAC(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
SMILESO=C1[C@@H]2C3C=CC(C3)[C@@H]2[C@H]2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C15H16O/c16-15-13-9-3-1-7(5-9)11(13)12-8-2-4-10(6-8)14(12)15/h1-4,7-14H,5-6H2/t7?,8?,9?,10?,11-,12-,13-,14-/m1/s1
InChIKeyZLXHZSNEHVHERY-AHWPSJJYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds

About (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one

(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one (PubChem CID 155930082) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one.

Molecular Properties

Compound Name(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
PubChem CID155930082
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
SMILESO=C1[C@@H]2C3C=CC(C3)[C@@H]2[C@H]2C3C=CC(C3)[C@@H]12
InChIInChI=1S/C15H16O/c16-15-13-9-3-1-7(5-9)11(13)12-8-2-4-10(6-8)14(12)15/h1-4,7-14H,5-6H2/t7?,8?,9?,10?,11-,12-,13-,14-/m1/s1
InChIKeyZLXHZSNEHVHERY-AHWPSJJYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
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,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one?
The IUPAC name of (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one (CID 155930082) is (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one.
What is the SMILES notation for (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one?
The canonical SMILES for (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one is O=C1[C@@H]2C3C=CC(C3)[C@@H]2[C@H]2C3C=CC(C3)[C@@H]12.
What is the InChIKey of (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one?
The InChIKey is ZLXHZSNEHVHERY-AHWPSJJYSA-N. The full InChI is InChI=1S/C15H16O/c16-15-13-9-3-1-7(5-9)11(13)12-8-2-4-10(6-8)14(12)15/h1-4,7-14H,5-6H2/t7?,8?,9?,10?,11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one?
(2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one has a molecular weight of 212.29 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8R,10R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one is sourced from PubChem (CID 155930082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).