6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one

C15H20O2 — CID 163051297

IUPAC6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one
SMILESC=C1C(=O)OC2CC(C)=CC=CC(C)CCC12
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h4-6,10,13-14H,3,7-9H2,1-2H3
InChIKeyMMTZAJNKISZWFG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.41
Rot. Bonds

About 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one

6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one (PubChem CID 163051297) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one.

Molecular Properties

Compound Name6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one
PubChem CID163051297
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one
SMILESC=C1C(=O)OC2CC(C)=CC=CC(C)CCC12
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h4-6,10,13-14H,3,7-9H2,1-2H3
InChIKeyMMTZAJNKISZWFG-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one with MolForge

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Related Compounds

Costunolide
CID 5281437
(+)-Alantolactone
CID 72724
Bohlmann K2631
CID 327378
(-)-Eremanthin
CID 100572
(-)-Xanthatin
CID 5281511
Dehydroleucodine
CID 73440
Sedanolide
CID 5018391
Tomentosin
CID 155173
7-Methyl-3-Methylidene-6-(3-Oxobutyl)-4,7,8,8A-Tetrahydro-3Ah-Cyclohepta(B)Furan-2-One
CID 540288
6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
CID 23928111
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS-(3aR*,6E,10E,11aS*))-
CID 6436243
(6Z,10Z)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5367559

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one?
The IUPAC name of 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one (CID 163051297) is 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one.
What is the SMILES notation for 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one?
The canonical SMILES for 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one is C=C1C(=O)OC2CC(C)=CC=CC(C)CCC12.
What is the InChIKey of 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one?
The InChIKey is MMTZAJNKISZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h4-6,10,13-14H,3,7-9H2,1-2H3.
What are the key properties of 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one?
6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one is sourced from PubChem (CID 163051297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).