3,8-dimethyl-2-oxaspiro[4.5]decan-1-one

C11H18O2 — CID 18714569

IUPAC3,8-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1CCC2(CC1)CC(C)OC2=O
InChIInChI=1S/C11H18O2/c1-8-3-5-11(6-4-8)7-9(2)13-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyPZPSBDVKGALFLR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds

About 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one

3,8-dimethyl-2-oxaspiro[4.5]decan-1-one (PubChem CID 18714569) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3,8-dimethyl-2-oxaspiro[4.5]decan-1-one
PubChem CID18714569
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,8-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1CCC2(CC1)CC(C)OC2=O
InChIInChI=1S/C11H18O2/c1-8-3-5-11(6-4-8)7-9(2)13-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyPZPSBDVKGALFLR-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydromintlactone
CID 14344497
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
1(3H)-Isobenzofuranone, 3-butylhexahydro-
CID 12367055
1-Oxaspiro(4.5)decan-2-one, 8-methyl-
CID 175596
2-Oxaspiro(4.5)decan-3-one
CID 23661
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one (CID 18714569) is 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one is CC1CCC2(CC1)CC(C)OC2=O.
What is the InChIKey of 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is PZPSBDVKGALFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-3-5-11(6-4-8)7-9(2)13-10(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one?
3,8-dimethyl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 18714569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).