7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene

C15H26O2 — CID 3115148

IUPAC7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCCCC1OCC2(CO1)C(C)C=C(C)CC2C
InChIInChI=1S/C15H26O2/c1-5-6-14-16-9-15(10-17-14)12(3)7-11(2)8-13(15)4/h7,12-14H,5-6,8-10H2,1-4H3
InChIKeyYZVNKRRTCSVVTJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds2

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

7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 3115148) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID3115148
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCCCC1OCC2(CO1)C(C)C=C(C)CC2C
InChIInChI=1S/C15H26O2/c1-5-6-14-16-9-15(10-17-14)12(3)7-11(2)8-13(15)4/h7,12-14H,5-6,8-10H2,1-4H3
InChIKeyYZVNKRRTCSVVTJ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.77
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-propyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 3115148) is 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene is CCCC1OCC2(CO1)C(C)C=C(C)CC2C.
What is the InChIKey of 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is YZVNKRRTCSVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-6-14-16-9-15(10-17-14)12(3)7-11(2)8-13(15)4/h7,12-14H,5-6,8-10H2,1-4H3.
What are the key properties of 7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene?
7,9,11-trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 238.37 g/mol, XLogP of 3.77, 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-propyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 3115148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).