11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one

C16H26O3 — CID 70809048

IUPAC11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one
SMILESCC(C)OC1CC(C)C2(C1)CC1(CCCC1)OC2=O
InChIInChI=1S/C16H26O3/c1-11(2)18-13-8-12(3)16(9-13)10-15(19-14(16)17)6-4-5-7-15/h11-13H,4-10H2,1-3H3
InChIKeyQGRYJEHWWAFRPP-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.46
Rot. Bonds2

About 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one

11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one (PubChem CID 70809048) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one.

Molecular Properties

Compound Name11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one
PubChem CID70809048
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one
SMILESCC(C)OC1CC(C)C2(C1)CC1(CCCC1)OC2=O
InChIInChI=1S/C16H26O3/c1-11(2)18-13-8-12(3)16(9-13)10-15(19-14(16)17)6-4-5-7-15/h11-13H,4-10H2,1-3H3
InChIKeyQGRYJEHWWAFRPP-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one?
The IUPAC name of 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one (CID 70809048) is 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one.
What is the SMILES notation for 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one?
The canonical SMILES for 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one is CC(C)OC1CC(C)C2(C1)CC1(CCCC1)OC2=O.
What is the InChIKey of 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one?
The InChIKey is QGRYJEHWWAFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-11(2)18-13-8-12(3)16(9-13)10-15(19-14(16)17)6-4-5-7-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one?
11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one has a molecular weight of 266.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9-propan-2-yloxy-13-oxadispiro[4.1.47.25]tridecan-12-one is sourced from PubChem (CID 70809048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).