5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C13H14O2 — CID 67873275

IUPAC5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)=C1C2C=CC1C1C(O)=CC(=O)C21
InChIInChI=1S/C13H14O2/c1-6(2)11-7-3-4-8(11)13-10(15)5-9(14)12(7)13/h3-5,7-8,12-14H,1-2H3
InChIKeyGEZJAEFIQXELOE-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.40
Rot. Bonds

About 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one

5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 67873275) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID67873275
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)=C1C2C=CC1C1C(O)=CC(=O)C21
InChIInChI=1S/C13H14O2/c1-6(2)11-7-3-4-8(11)13-10(15)5-9(14)12(7)13/h3-5,7-8,12-14H,1-2H3
InChIKeyGEZJAEFIQXELOE-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.40
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 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 67873275) is 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one is CC(C)=C1C2C=CC1C1C(O)=CC(=O)C21.
What is the InChIKey of 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is GEZJAEFIQXELOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-6(2)11-7-3-4-8(11)13-10(15)5-9(14)12(7)13/h3-5,7-8,12-14H,1-2H3.
What are the key properties of 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 202.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 67873275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).