7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one

C14H22O2 — CID 155411802

IUPAC7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC(C)C1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C14H22O2/c1-9(2)11-7-14(5-6-16-8-14)13(15)12(11)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeySZFHSCANKLNIIO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.97
Rot. Bonds2

About 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one

7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one (PubChem CID 155411802) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one
PubChem CID155411802
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC(C)C1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C14H22O2/c1-9(2)11-7-14(5-6-16-8-14)13(15)12(11)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeySZFHSCANKLNIIO-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one (CID 155411802) is 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one is CC(C)C1=C(C(C)C)C(=O)C2(CCOC2)C1.
What is the InChIKey of 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one?
The InChIKey is SZFHSCANKLNIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)11-7-14(5-6-16-8-14)13(15)12(11)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one?
7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one has a molecular weight of 222.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-di(propan-2-yl)-2-oxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 155411802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).