8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one

C12H20O2 — CID 90165705

IUPAC8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one
SMILESCC1COC2(CCCC2)C(=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-9-8-14-12(6-4-5-7-12)10(13)11(9,2)3/h9H,4-8H2,1-3H3
InChIKeyAJDDQZXEBFNOIB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds

About 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one

8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one (PubChem CID 90165705) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one
PubChem CID90165705
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one
SMILESCC1COC2(CCCC2)C(=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-9-8-14-12(6-4-5-7-12)10(13)11(9,2)3/h9H,4-8H2,1-3H3
InChIKeyAJDDQZXEBFNOIB-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one?
The IUPAC name of 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one (CID 90165705) is 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one.
What is the SMILES notation for 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one?
The canonical SMILES for 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one is CC1COC2(CCCC2)C(=O)C1(C)C.
What is the InChIKey of 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one?
The InChIKey is AJDDQZXEBFNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-8-14-12(6-4-5-7-12)10(13)11(9,2)3/h9H,4-8H2,1-3H3.
What are the key properties of 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one?
8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,9-trimethyl-6-oxaspiro[4.5]decan-10-one is sourced from PubChem (CID 90165705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).