1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one

C15H24O — CID 69027320

IUPAC1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one
SMILESC=C1C(=O)CC(C)C12CC(C)CC(C)(C)C2
InChIInChI=1S/C15H24O/c1-10-7-14(4,5)9-15(8-10)11(2)6-13(16)12(15)3/h10-11H,3,6-9H2,1-2,4-5H3
InChIKeyZKJORZXGTOIYHW-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

About 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one

1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one (PubChem CID 69027320) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one
PubChem CID69027320
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one
SMILESC=C1C(=O)CC(C)C12CC(C)CC(C)(C)C2
InChIInChI=1S/C15H24O/c1-10-7-14(4,5)9-15(8-10)11(2)6-13(16)12(15)3/h10-11H,3,6-9H2,1-2,4-5H3
InChIKeyZKJORZXGTOIYHW-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one?
The IUPAC name of 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one (CID 69027320) is 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one.
What is the SMILES notation for 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one?
The canonical SMILES for 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one is C=C1C(=O)CC(C)C12CC(C)CC(C)(C)C2.
What is the InChIKey of 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one?
The InChIKey is ZKJORZXGTOIYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-14(4,5)9-15(8-10)11(2)6-13(16)12(15)3/h10-11H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one?
1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,9,9-tetramethyl-4-methylidenespiro[4.5]decan-3-one is sourced from PubChem (CID 69027320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).