(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one

C11H16O3 — CID 102310942

IUPAC(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)[C@H]1O[C@]2(C=CC1=O)CCCO2
InChIInChI=1S/C11H16O3/c1-8(2)10-9(12)4-6-11(14-10)5-3-7-13-11/h4,6,8,10H,3,5,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyOFEKLESEFQIMCZ-MNOVXSKESA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

About (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one

(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 102310942) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID102310942
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESCC(C)[C@H]1O[C@]2(C=CC1=O)CCCO2
InChIInChI=1S/C11H16O3/c1-8(2)10-9(12)4-6-11(14-10)5-3-7-13-11/h4,6,8,10H,3,5,7H2,1-2H3/t10-,11+/m1/s1
InChIKeyOFEKLESEFQIMCZ-MNOVXSKESA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-1,7-dioxaspiro[5.5]undec-4-en-3-one
CID 15599468
1-Ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 134843795
6-Hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
CID 164676822
6-Ethoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 13041085
6-Methoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 21397294
6-Methoxy-6-methyl-2-propan-2-ylpyran-3-one
CID 139839705
(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one
CID 11073844
(2R,6S)-6-but-3-enyl-6-hydroxy-2-propan-2-ylpyran-3-one
CID 11974422
6-Hydroxy-6-pent-4-enyl-2-propan-2-ylpyran-3-one
CID 11975682
(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 71506916
(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310938
(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one
CID 102310939

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one (CID 102310942) is (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one is CC(C)[C@H]1O[C@]2(C=CC1=O)CCCO2.
What is the InChIKey of (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is OFEKLESEFQIMCZ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)10-9(12)4-6-11(14-10)5-3-7-13-11/h4,6,8,10H,3,5,7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 102310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).