(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one

C10H12O4 — CID 59445925

IUPAC(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one
SMILESC[C@]12C=C[C@@H](O1)C(=O)CC21OCCO1
InChIInChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2-3,8H,4-6H2,1H3/t8-,9-/m1/s1
InChIKeyOFUMMRJQWXHQTC-RKDXNWHRSA-N
MW196.20 g/mol
LogP0.42
Rot. Bonds

About (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one

(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one (PubChem CID 59445925) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one.

Molecular Properties

Compound Name(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one
PubChem CID59445925
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one
SMILESC[C@]12C=C[C@@H](O1)C(=O)CC21OCCO1
InChIInChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2-3,8H,4-6H2,1H3/t8-,9-/m1/s1
InChIKeyOFUMMRJQWXHQTC-RKDXNWHRSA-N
XLogP0.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R,5R)-2,2-dimethoxy-4-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134887700
(1R,5S)-4,4-dimethoxy-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134887722
(1S,5S)-2,2-dimethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134887742
(1S,5S)-4,4-dimethoxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134897845
1-Methyl-4,4-bis(2,2,2-trifluoroethoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 21579896
1-Methyl-2,2-bis(2,2,2-trifluoroethoxy)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 21579897
Ixdyywwpvlgtiy-xhnckoqmsa-
CID 21575730
(1S,2R,4S,5R)-1-(1,3-dioxolan-2-yl)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 102330875
(1S,2S,4R,5R)-1-(1,3-dioxolan-2-yl)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 102330877
4,4-Dimethoxy-1,5-dimethyl-8-oxa-bicyclo[3.2.1]oct-6-en-2-one
CID 58609526
(1'R,5'R)-3'-chloro-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one
CID 59445911
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 59562559

Frequently Asked Questions

What is the IUPAC name of (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one?
The IUPAC name of (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one (CID 59445925) is (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one.
What is the SMILES notation for (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one?
The canonical SMILES for (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one is C[C@]12C=C[C@@H](O1)C(=O)CC21OCCO1.
What is the InChIKey of (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one?
The InChIKey is OFUMMRJQWXHQTC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2-3,8H,4-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one?
(1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one has a molecular weight of 196.20 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-6-ene]-2'-one is sourced from PubChem (CID 59445925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).