5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene

C10H12O — CID 15856028

IUPAC5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene
SMILESCOCC12C=CC3C(C=C1)C32
InChIInChI=1S/C10H12O/c1-11-6-10-4-2-7-8(3-5-10)9(7)10/h2-5,7-9H,6H2,1H3
InChIKeyBKROTEQRBSTMEA-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.62
Rot. Bonds2

About 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene

5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene (PubChem CID 15856028) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene.

Molecular Properties

Compound Name5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene
PubChem CID15856028
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene
SMILESCOCC12C=CC3C(C=C1)C32
InChIInChI=1S/C10H12O/c1-11-6-10-4-2-7-8(3-5-10)9(7)10/h2-5,7-9H,6H2,1H3
InChIKeyBKROTEQRBSTMEA-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.62
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 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene?
The IUPAC name of 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene (CID 15856028) is 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene.
What is the SMILES notation for 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene?
The canonical SMILES for 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene is COCC12C=CC3C(C=C1)C32.
What is the InChIKey of 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene?
The InChIKey is BKROTEQRBSTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-11-6-10-4-2-7-8(3-5-10)9(7)10/h2-5,7-9H,6H2,1H3.
What are the key properties of 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene?
5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene has a molecular weight of 148.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)tricyclo[3.3.0.02,8]octa-3,6-diene is sourced from PubChem (CID 15856028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).