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

C11H14O3 — CID 71506916

IUPAC(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESC=CC[C@H]1O[C@]2(C=CC1=O)CCCO2
InChIInChI=1S/C11H14O3/c1-2-4-10-9(12)5-7-11(14-10)6-3-8-13-11/h2,5,7,10H,1,3-4,6,8H2/t10-,11+/m1/s1
InChIKeyLJEOASLTJHTGMI-MNOVXSKESA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds2

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

(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 71506916) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID71506916
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESC=CC[C@H]1O[C@]2(C=CC1=O)CCCO2
InChIInChI=1S/C11H14O3/c1-2-4-10-9(12)5-7-11(14-10)6-3-8-13-11/h2,5,7,10H,1,3-4,6,8H2/t10-,11+/m1/s1
InChIKeyLJEOASLTJHTGMI-MNOVXSKESA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310942
(1R,2R)-1,2-Dihydroxy-3-cyclopropen-5-one 1,2-Cyclohexyl Ketal
CID 11084740
(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 11521235
Spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 13939836
2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one
CID 19430045
2-ethoxy-6-ethyl-2H-pyran-5-one
CID 20295216
7-Methylidene-1,6-dioxaspiro[4.5]dec-8-en-10-one
CID 20695161
6-ethyl-2-hexoxy-2H-pyran-5-one
CID 21397306
6-ethyl-2-propan-2-yloxy-2H-pyran-5-one
CID 21397315
6-Butoxy-2-ethyl-2H-pyran-3(6H)-one
CID 21397331
6-ethyl-2-pentoxy-2H-pyran-5-one
CID 21397342

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one (CID 71506916) is (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one is C=CC[C@H]1O[C@]2(C=CC1=O)CCCO2.
What is the InChIKey of (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is LJEOASLTJHTGMI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14O3/c1-2-4-10-9(12)5-7-11(14-10)6-3-8-13-11/h2,5,7,10H,1,3-4,6,8H2/t10-,11+/m1/s1.
What are the key properties of (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one?
(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 71506916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).