(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one

C14H22O4 — CID 175672811

IUPAC(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]([C@H]2COC3(CCCCC3)O2)C1
InChIInChI=1S/C14H22O4/c1-10-7-11(17-13(15)8-10)12-9-16-14(18-12)5-3-2-4-6-14/h10-12H,2-9H2,1H3/t10-,11-,12-/m1/s1
InChIKeyLOQQFRCVWSWULH-IJLUTSLNSA-N
MW254.33 g/mol
LogP2.40
Rot. Bonds1

About (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one

(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one (PubChem CID 175672811) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one
PubChem CID175672811
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]([C@H]2COC3(CCCCC3)O2)C1
InChIInChI=1S/C14H22O4/c1-10-7-11(17-13(15)8-10)12-9-16-14(18-12)5-3-2-4-6-14/h10-12H,2-9H2,1H3/t10-,11-,12-/m1/s1
InChIKeyLOQQFRCVWSWULH-IJLUTSLNSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one with MolForge

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Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 372311
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
Methyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 67511443
(5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
CID 16120045
(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 102392244
(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
CID 134855131
(4s,6s)-6-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-4-methyltetrahydro-2h-pyran-2-one
CID 175672812

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one?
The IUPAC name of (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one (CID 175672811) is (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one.
What is the SMILES notation for (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one?
The canonical SMILES for (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one is C[C@H]1CC(=O)O[C@@H]([C@H]2COC3(CCCCC3)O2)C1.
What is the InChIKey of (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one?
The InChIKey is LOQQFRCVWSWULH-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H22O4/c1-10-7-11(17-13(15)8-10)12-9-16-14(18-12)5-3-2-4-6-14/h10-12H,2-9H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one?
(4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-methyloxan-2-one is sourced from PubChem (CID 175672811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).