6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one

C10H16O3 — CID 10997717

IUPAC6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)C(=O)CCCC12OCCO2
InChIInChI=1S/C10H16O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h3-7H2,1-2H3
InChIKeyNTXPNZZGKQFVJR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds

About 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one

6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 10997717) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID10997717
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)C(=O)CCCC12OCCO2
InChIInChI=1S/C10H16O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h3-7H2,1-2H3
InChIKeyNTXPNZZGKQFVJR-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one (CID 10997717) is 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one is CC1(C)C(=O)CCCC12OCCO2.
What is the InChIKey of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is NTXPNZZGKQFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)8(11)4-3-5-10(9)12-6-7-13-10/h3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 10997717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).