3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C15H22O2 — CID 151513769

IUPAC3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC=CC=C1COC2(C=C(C)CC(C)(C)C2)O1
InChIInChI=1S/C15H22O2/c1-5-6-7-13-10-16-15(17-13)9-12(2)8-14(3,4)11-15/h5-7,9H,8,10-11H2,1-4H3
InChIKeyPTAIQNDZFUEMBI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.96
Rot. Bonds1

About 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 151513769) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID151513769
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC=CC=C1COC2(C=C(C)CC(C)(C)C2)O1
InChIInChI=1S/C15H22O2/c1-5-6-7-13-10-16-15(17-13)9-12(2)8-14(3,4)11-15/h5-7,9H,8,10-11H2,1-4H3
InChIKeyPTAIQNDZFUEMBI-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.96
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 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 151513769) is 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CC=CC=C1COC2(C=C(C)CC(C)(C)C2)O1.
What is the InChIKey of 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is PTAIQNDZFUEMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-7-13-10-16-15(17-13)9-12(2)8-14(3,4)11-15/h5-7,9H,8,10-11H2,1-4H3.
What are the key properties of 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 234.34 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 151513769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).