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

C18H28O2 — CID 129308246

IUPAC7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
SMILESCOCC1=CC2C(=O)C3(CCCC3C1)CCC(C)C2C
InChIInChI=1S/C18H28O2/c1-12-6-8-18-7-4-5-15(18)9-14(11-20-3)10-16(13(12)2)17(18)19/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyZMGGQQWFAMHQKI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.00
Rot. Bonds2

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

7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one (PubChem CID 129308246) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one.

Molecular Properties

Compound Name7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
PubChem CID129308246
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one
SMILESCOCC1=CC2C(=O)C3(CCCC3C1)CCC(C)C2C
InChIInChI=1S/C18H28O2/c1-12-6-8-18-7-4-5-15(18)9-14(11-20-3)10-16(13(12)2)17(18)19/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyZMGGQQWFAMHQKI-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.00
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)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The IUPAC name of 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one (CID 129308246) is 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one.
What is the SMILES notation for 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The canonical SMILES for 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one is COCC1=CC2C(=O)C3(CCCC3C1)CCC(C)C2C.
What is the InChIKey of 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
The InChIKey is ZMGGQQWFAMHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-12-6-8-18-7-4-5-15(18)9-14(11-20-3)10-16(13(12)2)17(18)19/h10,12-13,15-16H,4-9,11H2,1-3H3.
What are the key properties of 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one?
7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one has a molecular weight of 276.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-10,11-dimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one is sourced from PubChem (CID 129308246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).