(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione

C14H16O3 — CID 23649511

IUPAC(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione
SMILESCC1=CC=C2C(=O)CCC[C@@H]2[C@]12CCOC2=O
InChIInChI=1S/C14H16O3/c1-9-5-6-10-11(3-2-4-12(10)15)14(9)7-8-17-13(14)16/h5-6,11H,2-4,7-8H2,1H3/t11-,14-/m0/s1
InChIKeyVOMLDVPTDWXFNY-FZMZJTMJSA-N
MW232.28 g/mol
LogP2.18
Rot. Bonds

About (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione

(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione (PubChem CID 23649511) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione.

Molecular Properties

Compound Name(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione
PubChem CID23649511
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione
SMILESCC1=CC=C2C(=O)CCC[C@@H]2[C@]12CCOC2=O
InChIInChI=1S/C14H16O3/c1-9-5-6-10-11(3-2-4-12(10)15)14(9)7-8-17-13(14)16/h5-6,11H,2-4,7-8H2,1H3/t11-,14-/m0/s1
InChIKeyVOMLDVPTDWXFNY-FZMZJTMJSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione with MolForge

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Related Compounds

2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
CID 100968
methyl (4aR,10aS)-1,1-dimethyl-5,6,9-trioxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
CID 155532075
11,13-Dehydromazdasantonin
CID 50908403
(1S,4S,9Z,13S)-5,5,9-trimethyl-3-oxatricyclo[5.5.1.04,13]trideca-6,9-diene-2,8-dione
CID 21724970
[(4aS,9R,9aS)-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]methyl acetate
CID 72188116
5,8a-Dimethyl-3-methylene-3a,7,8,8a,9,9a-hexahydro-3h-naphtho[2,3-b]furan-2-one
CID 3839086
Ythvcrznsxhbak-uhfffaoysa-
CID 44631570
(3aR,8aR,9aR)-8a-methyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,5-dione
CID 162848926
ethyl (2R)-2-[(2S,8S,8aR)-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]propanoate
CID 127025136
ethyl (2R)-2-[(2S,8R,8aR)-8,8a-dimethyl-3,7-dioxo-2,8-dihydro-1H-naphthalen-2-yl]propanoate
CID 127025138
(3aR,8aR,9aR)-5,8a-dimethyl-3-methylene-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
CID 904198
Oblongolide I
CID 11601100

Frequently Asked Questions

What is the IUPAC name of (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione?
The IUPAC name of (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione (CID 23649511) is (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione.
What is the SMILES notation for (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione?
The canonical SMILES for (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione is CC1=CC=C2C(=O)CCC[C@@H]2[C@]12CCOC2=O.
What is the InChIKey of (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione?
The InChIKey is VOMLDVPTDWXFNY-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H16O3/c1-9-5-6-10-11(3-2-4-12(10)15)14(9)7-8-17-13(14)16/h5-6,11H,2-4,7-8H2,1H3/t11-,14-/m0/s1.
What are the key properties of (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione?
(4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione has a molecular weight of 232.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R)-6-methylspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-oxolane]-1,2'-dione is sourced from PubChem (CID 23649511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).