4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one

C14H24O3 — CID 79923487

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3/c1-11(15)8-13(2,3)12-4-6-17-14(9-12)5-7-16-10-14/h12H,4-10H2,1-3H3
InChIKeyLSMCEKSXLPDABT-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.58
Rot. Bonds3

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one

4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one (PubChem CID 79923487) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
PubChem CID79923487
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3/c1-11(15)8-13(2,3)12-4-6-17-14(9-12)5-7-16-10-14/h12H,4-10H2,1-3H3
InChIKeyLSMCEKSXLPDABT-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dioxaspiro[4.5]decan-9-yl)-2,6-dimethylheptan-4-ol
CID 114865417
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
CID 79901467
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
CID 81026781
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one (CID 79923487) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one is CC(=O)CC(C)(C)C1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one?
The InChIKey is LSMCEKSXLPDABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(15)8-13(2,3)12-4-6-17-14(9-12)5-7-16-10-14/h12H,4-10H2,1-3H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one has a molecular weight of 240.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one is sourced from PubChem (CID 79923487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).