10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one

C15H24O3 — CID 67583014

IUPAC10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one
SMILESCC1COC2(O1)C(=O)CCCC2C1CCCCC1
InChIInChI=1S/C15H24O3/c1-11-10-17-15(18-11)13(8-5-9-14(15)16)12-6-3-2-4-7-12/h11-13H,2-10H2,1H3
InChIKeyHANBTQXIJQYVIT-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.07
Rot. Bonds1

About 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one

10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one (PubChem CID 67583014) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one
PubChem CID67583014
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one
SMILESCC1COC2(O1)C(=O)CCCC2C1CCCCC1
InChIInChI=1S/C15H24O3/c1-11-10-17-15(18-11)13(8-5-9-14(15)16)12-6-3-2-4-7-12/h11-13H,2-10H2,1H3
InChIKeyHANBTQXIJQYVIT-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one?
The IUPAC name of 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one (CID 67583014) is 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one.
What is the SMILES notation for 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one?
The canonical SMILES for 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one is CC1COC2(O1)C(=O)CCCC2C1CCCCC1.
What is the InChIKey of 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one?
The InChIKey is HANBTQXIJQYVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11-10-17-15(18-11)13(8-5-9-14(15)16)12-6-3-2-4-7-12/h11-13H,2-10H2,1H3.
What are the key properties of 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one?
10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one has a molecular weight of 252.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one is sourced from PubChem (CID 67583014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).