7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene

C20H28O2 — CID 2855152

IUPAC7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COC(CCc3ccccc3)OC2)C(C)C1
InChIInChI=1S/C20H28O2/c1-15-11-16(2)20(17(3)12-15)13-21-19(22-14-20)10-9-18-7-5-4-6-8-18/h4-8,11,16-17,19H,9-10,12-14H2,1-3H3
InChIKeyAJGPBQYWOGYCGN-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.60
Rot. Bonds3

About 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene

7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 2855152) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID2855152
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COC(CCc3ccccc3)OC2)C(C)C1
InChIInChI=1S/C20H28O2/c1-15-11-16(2)20(17(3)12-15)13-21-19(22-14-20)10-9-18-7-5-4-6-8-18/h4-8,11,16-17,19H,9-10,12-14H2,1-3H3
InChIKeyAJGPBQYWOGYCGN-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.60
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 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene (CID 2855152) is 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CC(C)C2(COC(CCc3ccccc3)OC2)C(C)C1.
What is the InChIKey of 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is AJGPBQYWOGYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-15-11-16(2)20(17(3)12-15)13-21-19(22-14-20)10-9-18-7-5-4-6-8-18/h4-8,11,16-17,19H,9-10,12-14H2,1-3H3.
What are the key properties of 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene?
7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 300.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,11-trimethyl-3-(2-phenylethyl)-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 2855152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).