6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one

C18H28O3 — CID 162844427

IUPAC6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)CC(C)C12CCC(C1(C)COC(C)(C)O1)C2
InChIInChI=1S/C18H28O3/c1-12-8-15(19)9-13(2)18(12)7-6-14(10-18)17(5)11-20-16(3,4)21-17/h8,13-14H,6-7,9-11H2,1-5H3
InChIKeyMHKGRXHGSXALIB-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.87
Rot. Bonds1

About 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one

6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one (PubChem CID 162844427) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one
PubChem CID162844427
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)CC(C)C12CCC(C1(C)COC(C)(C)O1)C2
InChIInChI=1S/C18H28O3/c1-12-8-15(19)9-13(2)18(12)7-6-14(10-18)17(5)11-20-16(3,4)21-17/h8,13-14H,6-7,9-11H2,1-5H3
InChIKeyMHKGRXHGSXALIB-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one?
The IUPAC name of 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one (CID 162844427) is 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one?
The canonical SMILES for 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one is CC1=CC(=O)CC(C)C12CCC(C1(C)COC(C)(C)O1)C2.
What is the InChIKey of 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one?
The InChIKey is MHKGRXHGSXALIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-12-8-15(19)9-13(2)18(12)7-6-14(10-18)17(5)11-20-16(3,4)21-17/h8,13-14H,6-7,9-11H2,1-5H3.
What are the key properties of 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one?
6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one has a molecular weight of 292.42 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)spiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 162844427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).