7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione

C15H18O4 — CID 162790920

IUPAC7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione
SMILESC=C(CC(=O)C=C(C)C)C(=O)C[C@@H]1COC(=O)C1=C
InChIInChI=1S/C15H18O4/c1-9(2)5-13(16)6-10(3)14(17)7-12-8-19-15(18)11(12)4/h5,12H,3-4,6-8H2,1-2H3/t12-/m1/s1
InChIKeyFQOFICSFKCSTBP-GFCCVEGCSA-N
MW262.30 g/mol
LogP2.16
Rot. Bonds6

About 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione

7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione (PubChem CID 162790920) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione.

Molecular Properties

Compound Name7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione
PubChem CID162790920
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione
SMILESC=C(CC(=O)C=C(C)C)C(=O)C[C@@H]1COC(=O)C1=C
InChIInChI=1S/C15H18O4/c1-9(2)5-13(16)6-10(3)14(17)7-12-8-19-15(18)11(12)4/h5,12H,3-4,6-8H2,1-2H3/t12-/m1/s1
InChIKeyFQOFICSFKCSTBP-GFCCVEGCSA-N
XLogP2.16
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione with MolForge

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Related Compounds

3-methylidene-4-[3-[(4-methyl-5-oxooxolan-2-yl)methyl]-2-oxobut-3-enyl]oxolan-2-one
CID 163103975
2-[(3S)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 141354265
(4S)-4-acetyl-3-methylideneoxolan-2-one
CID 69238981
2-methyl-6-methylideneocta-2,7-dien-4-one
CID 6430826
methyl 2-[(5E)-5-[(E)-2-hydroxybut-2-enylidene]-4-methylideneoxolan-3-yl]acetate
CID 143601251
5-methyl-3-oxohex-4-enoic acid
CID 55300191
2-[(3R)-4-methylidene-5-oxooxolan-3-yl]ethyl N-(4-iodophenyl)carbamate
CID 118731047
(4R)-4-[hydroxy-(prop-2-enylamino)methyl]-3-methylideneoxolan-2-one
CID 142851758
6-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)hepta-1,5-dien-4-one
CID 91751074
(4aS,5S,7S,7aR)-5-hydroxy-7-methyl-4-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-one
CID 101158544
1-(8-azabicyclo[3.2.1]octan-3-yl)-4-methylpent-3-en-2-one
CID 116588455
methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54352126

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione?
The IUPAC name of 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione (CID 162790920) is 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione.
What is the SMILES notation for 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione?
The canonical SMILES for 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione is C=C(CC(=O)C=C(C)C)C(=O)C[C@@H]1COC(=O)C1=C.
What is the InChIKey of 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione?
The InChIKey is FQOFICSFKCSTBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18O4/c1-9(2)5-13(16)6-10(3)14(17)7-12-8-19-15(18)11(12)4/h5,12H,3-4,6-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione?
7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione has a molecular weight of 262.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidene-1-[(3S)-4-methylidene-5-oxooxolan-3-yl]oct-6-ene-2,5-dione is sourced from PubChem (CID 162790920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).