(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one

C15H22O3 — CID 73349164

IUPAC(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one
SMILESCC(=O)/C=C1/CC(C)(C)C[C@]12OC(=O)CC[C@H]2C
InChIInChI=1S/C15H22O3/c1-10-5-6-13(17)18-15(10)9-14(3,4)8-12(15)7-11(2)16/h7,10H,5-6,8-9H2,1-4H3/b12-7-/t10-,15-/m1/s1
InChIKeyIBQIHYCIZUNKBO-LZAIWYQLSA-N
MW250.34 g/mol
LogP3.03
Rot. Bonds1

About (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one

(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one (PubChem CID 73349164) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one
PubChem CID73349164
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one
SMILESCC(=O)/C=C1/CC(C)(C)C[C@]12OC(=O)CC[C@H]2C
InChIInChI=1S/C15H22O3/c1-10-5-6-13(17)18-15(10)9-14(3,4)8-12(15)7-11(2)16/h7,10H,5-6,8-9H2,1-4H3/b12-7-/t10-,15-/m1/s1
InChIKeyIBQIHYCIZUNKBO-LZAIWYQLSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one?
The IUPAC name of (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one (CID 73349164) is (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one.
What is the SMILES notation for (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one?
The canonical SMILES for (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one is CC(=O)/C=C1/CC(C)(C)C[C@]12OC(=O)CC[C@H]2C.
What is the InChIKey of (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one?
The InChIKey is IBQIHYCIZUNKBO-LZAIWYQLSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-5-6-13(17)18-15(10)9-14(3,4)8-12(15)7-11(2)16/h7,10H,5-6,8-9H2,1-4H3/b12-7-/t10-,15-/m1/s1.
What are the key properties of (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one?
(4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one has a molecular weight of 250.34 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5R,10R)-2,2,10-trimethyl-4-(2-oxopropylidene)-6-oxaspiro[4.5]decan-7-one is sourced from PubChem (CID 73349164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).