8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene

C11H14O — CID 23258446

IUPAC8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene
SMILESCC12OC3CC4CC3C1C=CC42
InChIInChI=1S/C11H14O/c1-11-8-2-3-9(11)7-4-6(8)5-10(7)12-11/h2-3,6-10H,4-5H2,1H3
InChIKeyQRKWUHYDNMRDOD-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.99
Rot. Bonds

About 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene

8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene (PubChem CID 23258446) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene.

Molecular Properties

Compound Name8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene
PubChem CID23258446
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene
SMILESCC12OC3CC4CC3C1C=CC42
InChIInChI=1S/C11H14O/c1-11-8-2-3-9(11)7-4-6(8)5-10(7)12-11/h2-3,6-10H,4-5H2,1H3
InChIKeyQRKWUHYDNMRDOD-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.99
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 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene?
The IUPAC name of 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene (CID 23258446) is 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene.
What is the SMILES notation for 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene?
The canonical SMILES for 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene is CC12OC3CC4CC3C1C=CC42.
What is the InChIKey of 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene?
The InChIKey is QRKWUHYDNMRDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-11-8-2-3-9(11)7-4-6(8)5-10(7)12-11/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene?
8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene has a molecular weight of 162.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene is sourced from PubChem (CID 23258446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).