(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione

C15H20O4 — CID 14543463

IUPAC(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
SMILESC/C1=C\CC(=O)[C@H](C)C[C@H]2OC(=O)C(CO)=C2CC1
InChIInChI=1S/C15H20O4/c1-9-3-5-11-12(8-16)15(18)19-14(11)7-10(2)13(17)6-4-9/h4,10,14,16H,3,5-8H2,1-2H3/b9-4+/t10-,14-/m1/s1
InChIKeyDPKLHUJIQNJYBQ-MJNWLPMTSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds1

About (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione

(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione (PubChem CID 14543463) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione.

Molecular Properties

Compound Name(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
PubChem CID14543463
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
SMILESC/C1=C\CC(=O)[C@H](C)C[C@H]2OC(=O)C(CO)=C2CC1
InChIInChI=1S/C15H20O4/c1-9-3-5-11-12(8-16)15(18)19-14(11)7-10(2)13(17)6-4-9/h4,10,14,16H,3,5-8H2,1-2H3/b9-4+/t10-,14-/m1/s1
InChIKeyDPKLHUJIQNJYBQ-MJNWLPMTSA-N
XLogP1.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Eupatoriopicrin
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CID 3756497
8-Deoxylactucin
CID 442196
Arctiopicrin
CID 5281423
[(3aR,4S,6E,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
CID 156015311
[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate
CID 12303703
Hiyodorilactone A
CID 5281471
2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
CID 5281490
14-Deoxylactucin
CID 156302

Frequently Asked Questions

What is the IUPAC name of (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione?
The IUPAC name of (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione (CID 14543463) is (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione.
What is the SMILES notation for (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione?
The canonical SMILES for (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione is C/C1=C\CC(=O)[C@H](C)C[C@H]2OC(=O)C(CO)=C2CC1.
What is the InChIKey of (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione?
The InChIKey is DPKLHUJIQNJYBQ-MJNWLPMTSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-3-5-11-12(8-16)15(18)19-14(11)7-10(2)13(17)6-4-9/h4,10,14,16H,3,5-8H2,1-2H3/b9-4+/t10-,14-/m1/s1.
What are the key properties of (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione?
(6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione has a molecular weight of 264.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R,11aR)-3-(hydroxymethyl)-6,10-dimethyl-4,5,8,10,11,11a-hexahydrocyclodeca[b]furan-2,9-dione is sourced from PubChem (CID 14543463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).