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

C16H28O2 — CID 3772919

IUPAC7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COC(CC(C)C)OC2)C(C)C1
InChIInChI=1S/C16H28O2/c1-11(2)6-15-17-9-16(10-18-15)13(4)7-12(3)8-14(16)5/h7,11,13-15H,6,8-10H2,1-5H3
InChIKeyHDDBOZWAVDQKHR-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.01
Rot. Bonds2

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

7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 3772919) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID3772919
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC1=CC(C)C2(COC(CC(C)C)OC2)C(C)C1
InChIInChI=1S/C16H28O2/c1-11(2)6-15-17-9-16(10-18-15)13(4)7-12(3)8-14(16)5/h7,11,13-15H,6,8-10H2,1-5H3
InChIKeyHDDBOZWAVDQKHR-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.01
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-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene (CID 3772919) is 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene is CC1=CC(C)C2(COC(CC(C)C)OC2)C(C)C1.
What is the InChIKey of 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is HDDBOZWAVDQKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11(2)6-15-17-9-16(10-18-15)13(4)7-12(3)8-14(16)5/h7,11,13-15H,6,8-10H2,1-5H3.
What are the key properties of 7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene?
7,9,11-trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 252.40 g/mol, XLogP of 4.01, 2 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-methylpropyl)-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 3772919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).