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

C24H46O4 — CID 145339044

IUPACmethanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane
SMILESCCC.CO.CO.COCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1
InChIInChI=1S/C19H30O2.C3H8.2CH4O/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20;1-3-2;2*1-2/h9,12-14,16-17H,5-8,10-11H2,1-4H3;3H2,1-2H3;2*2H,1H3
InChIKeyUVSVBMOUUQXLCA-UHFFFAOYSA-N
MW398.63 g/mol
LogP4.88
Rot. Bonds2

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

methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane (PubChem CID 145339044) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane.

Molecular Properties

Compound Namemethanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane
PubChem CID145339044
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Namemethanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane
SMILESCCC.CO.CO.COCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1
InChIInChI=1S/C19H30O2.C3H8.2CH4O/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20;1-3-2;2*1-2/h9,12-14,16-17H,5-8,10-11H2,1-4H3;3H2,1-2H3;2*2H,1H3
InChIKeyUVSVBMOUUQXLCA-UHFFFAOYSA-N
XLogP4.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane?
The IUPAC name of methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane (CID 145339044) is methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane.
What is the SMILES notation for methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane?
The canonical SMILES for methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane is CCC.CO.CO.COCC1=CC2C(=O)C3(CCC(C)C2C)CC(C)CC3C1.
What is the InChIKey of methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane?
The InChIKey is UVSVBMOUUQXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.C3H8.2CH4O/c1-12-7-16-8-15(11-21-4)9-17-14(3)13(2)5-6-19(16,10-12)18(17)20;1-3-2;2*1-2/h9,12-14,16-17H,5-8,10-11H2,1-4H3;3H2,1-2H3;2*2H,1H3.
What are the key properties of methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane?
methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane has a molecular weight of 398.63 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;7-(methoxymethyl)-3,10,11-trimethyltricyclo[7.4.1.01,5]tetradec-7-en-14-one;propane is sourced from PubChem (CID 145339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).