9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene

C14H16O — CID 85299421

IUPAC9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
SMILESC1=CC2CC1C1OC3C4C=CC(C4)C3C21
InChIInChI=1S/C14H16O/c1-3-9-5-7(1)11-12-8-2-4-10(6-8)14(12)15-13(9)11/h1-4,7-14H,5-6H2
InChIKeyKGLNVRHPDXXDCH-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.40
Rot. Bonds

About 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene

9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene (PubChem CID 85299421) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene.

Molecular Properties

Compound Name9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
PubChem CID85299421
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene
SMILESC1=CC2CC1C1OC3C4C=CC(C4)C3C21
InChIInChI=1S/C14H16O/c1-3-9-5-7(1)11-12-8-2-4-10(6-8)14(12)15-13(9)11/h1-4,7-14H,5-6H2
InChIKeyKGLNVRHPDXXDCH-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.40
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 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene?
The IUPAC name of 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene (CID 85299421) is 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene.
What is the SMILES notation for 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene?
The canonical SMILES for 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene is C1=CC2CC1C1OC3C4C=CC(C4)C3C21.
What is the InChIKey of 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene?
The InChIKey is KGLNVRHPDXXDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-3-9-5-7(1)11-12-8-2-4-10(6-8)14(12)15-13(9)11/h1-4,7-14H,5-6H2.
What are the key properties of 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene?
9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene has a molecular weight of 200.28 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-diene is sourced from PubChem (CID 85299421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).