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

C15H22O2 — CID 85256057

IUPAC8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC=CC=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H22O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBKXKLTQMXUWPRK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds1

About 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene

8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 85256057) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID85256057
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC=CC=C1C(C)=CC2(CC1(C)C)OCCO2
InChIInChI=1S/C15H22O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBKXKLTQMXUWPRK-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 85256057) is 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CC=CC=C1C(C)=CC2(CC1(C)C)OCCO2.
What is the InChIKey of 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is BKXKLTQMXUWPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-7-13-12(2)10-15(11-14(13,3)4)16-8-9-17-15/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
8-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 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 85256057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).