3-oxaspiro[5.5]undecan-4-one

C10H16O2 — CID 22412

IUPAC3-oxaspiro[5.5]undecan-4-one
SMILESO=C1CC2(CCCCC2)CCO1
InChIInChI=1S/C10H16O2/c11-9-8-10(6-7-12-9)4-2-1-3-5-10/h1-8H2
InChIKeyPBCKZQMQHOUENP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds

About 3-oxaspiro[5.5]undecan-4-one

3-oxaspiro[5.5]undecan-4-one (PubChem CID 22412) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name3-oxaspiro[5.5]undecan-4-one
PubChem CID22412
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-oxaspiro[5.5]undecan-4-one
SMILESO=C1CC2(CCCCC2)CCO1
InChIInChI=1S/C10H16O2/c11-9-8-10(6-7-12-9)4-2-1-3-5-10/h1-8H2
InChIKeyPBCKZQMQHOUENP-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Pyran-2-one, tetrahydro-5-pentyl-
CID 59609863
2-Oxaspiro(4.5)decan-3-one
CID 23661
2H-Pyran-2-one, 5-butyl-5-ethyltetrahydro-
CID 106787
2-Oxaspiro(4,5)decan-1-one
CID 20472
1,1-Cyclohexanediacetic Anhydride
CID 2734289
Methyl 1-methylcyclohexanecarboxylate
CID 524785
3-Nonyloxan-2-one
CID 68459488
4-Pentyloxan-2-one
CID 44578433
3-Oxaspiro[5.5]undecan-7-one
CID 67950949
3-Oxaspiro[5.5]undecan-9-one
CID 68765783
3-Pentyltetrahydro-2h-pyran-2-one
CID 122977
4-Hexyloxan-2-one
CID 14936438

Frequently Asked Questions

What is the IUPAC name of 3-oxaspiro[5.5]undecan-4-one?
The IUPAC name of 3-oxaspiro[5.5]undecan-4-one (CID 22412) is 3-oxaspiro[5.5]undecan-4-one.
What is the SMILES notation for 3-oxaspiro[5.5]undecan-4-one?
The canonical SMILES for 3-oxaspiro[5.5]undecan-4-one is O=C1CC2(CCCCC2)CCO1.
What is the InChIKey of 3-oxaspiro[5.5]undecan-4-one?
The InChIKey is PBCKZQMQHOUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-8-10(6-7-12-9)4-2-1-3-5-10/h1-8H2.
What are the key properties of 3-oxaspiro[5.5]undecan-4-one?
3-oxaspiro[5.5]undecan-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 22412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).