CID 95565689

C14H14O2 — CID 95565689

IUPAC—
SMILESO=C1C=C[C@@]2(CO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2
InChIInChI=1S/C14H14O2/c15-10-3-4-14(7-16-14)12-9-2-1-8(11(10)12)13(9)5-6-13/h1-4,8-9,11-12H,5-7H2/t8-,9+,11-,12-,14+/m0/s1
InChIKeyQZMWTKATHSHJJI-BMOFAUNVSA-N
MW214.26 g/mol
LogP1.72
Rot. Bonds

About CID 95565689

CID 95565689 (PubChem CID 95565689) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol.

Molecular Properties

Compound NameCID 95565689
PubChem CID95565689
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name—
SMILESO=C1C=C[C@@]2(CO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2
InChIInChI=1S/C14H14O2/c15-10-3-4-14(7-16-14)12-9-2-1-8(11(10)12)13(9)5-6-13/h1-4,8-9,11-12H,5-7H2/t8-,9+,11-,12-,14+/m0/s1
InChIKeyQZMWTKATHSHJJI-BMOFAUNVSA-N
XLogP1.72
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 95565689?
The IUPAC name of CID 95565689 (CID 95565689) is not available.
What is the SMILES notation for CID 95565689?
The canonical SMILES for CID 95565689 is O=C1C=C[C@@]2(CO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C12CC2.
What is the InChIKey of CID 95565689?
The InChIKey is QZMWTKATHSHJJI-BMOFAUNVSA-N. The full InChI is InChI=1S/C14H14O2/c15-10-3-4-14(7-16-14)12-9-2-1-8(11(10)12)13(9)5-6-13/h1-4,8-9,11-12H,5-7H2/t8-,9+,11-,12-,14+/m0/s1.
What are the key properties of CID 95565689?
CID 95565689 has a molecular weight of 214.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95565689 is sourced from PubChem (CID 95565689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).