ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

C14H24O2 — CID 155742438

IUPACethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC.CC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C12H18O2.C2H6/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyXQYRUBYAIWQEPT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds1

About ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one

ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (PubChem CID 155742438) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Nameethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
PubChem CID155742438
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
SMILESCC.CC1=C(C(C)C)C(=O)C2(CCOC2)C1
InChIInChI=1S/C12H18O2.C2H6/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyXQYRUBYAIWQEPT-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79758236
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CID 114824782
7-Methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one
CID 155742439

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The IUPAC name of ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one (CID 155742438) is ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is CC.CC1=C(C(C)C)C(=O)C2(CCOC2)C1.
What is the InChIKey of ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
The InChIKey is XQYRUBYAIWQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-8(2)10-9(3)6-12(11(10)13)4-5-14-7-12;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one?
ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one has a molecular weight of 224.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-8-propan-2-yl-2-oxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 155742438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).