7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one

C19H30O2 — CID 145339045

IUPAC7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
SMILESCOCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1
InChIInChI=1S/C19H30O2/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20/h9,12-14,16-17H,5-8,10-11H2,1-4H3
InChIKeyVGHLSDWZVIFGQW-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.25
Rot. Bonds2

About 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one

7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one (PubChem CID 145339045) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one.

Molecular Properties

Compound Name7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
PubChem CID145339045
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
SMILESCOCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1
InChIInChI=1S/C19H30O2/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20/h9,12-14,16-17H,5-8,10-11H2,1-4H3
InChIKeyVGHLSDWZVIFGQW-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
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 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The IUPAC name of 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one (CID 145339045) is 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one.
What is the SMILES notation for 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The canonical SMILES for 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one is COCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1.
What is the InChIKey of 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The InChIKey is VGHLSDWZVIFGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20/h9,12-14,16-17H,5-8,10-11H2,1-4H3.
What are the key properties of 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one has a molecular weight of 290.45 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one is sourced from PubChem (CID 145339045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).