(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid

C20H26O4 — CID 100980008

IUPAC(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
SMILESC=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)C/C=C\C=C/1C(=O)O
InChIInChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23)/b5-4-,17-6+/t15-,20+/m1/s1
InChIKeyCATZMOCHWKLNEK-YXELQZNGSA-N
MW330.42 g/mol
LogP4.20
Rot. Bonds4

About (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid

(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid (PubChem CID 100980008) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
PubChem CID100980008
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
SMILESC=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)C/C=C\C=C/1C(=O)O
InChIInChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23)/b5-4-,17-6+/t15-,20+/m1/s1
InChIKeyCATZMOCHWKLNEK-YXELQZNGSA-N
XLogP4.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid with MolForge

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Related Compounds

1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 14806212
Pinusolidic Acid
CID 25880646
(3R,3aR,10bR)-3-((1S)-1-((2S)-3,6-Dihydro-5-methyl-6-oxo-2H-pyran-2-yl)ethyl)-1,2,3,3a,4,5,8,10b-octahydro-3a,10b-dimethyl-8-(1-methylethylidene)cyclohept(e)indene-7-propanoic acid
CID 451865
(3aR,6R,7R,8aS)-6-hydroxy-7-isopropyl-4-methoxycarbonyl-3,3a,6,7,8,8a-hexahydroazulene-1-carboxylic acid
CID 10891721
(1E,3Z)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-4-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
CID 23786459
18-Deoxy-portulide
CID 15818204
portulide A
CID 24978616
(4aS,5R,6S,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CID 101321350
Acremeremophilane B
CID 132520154
methyl (1R,5S,6R)-5-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-1,5,6-trimethyl-2,3,4,6,7,8-hexahydronaphthalene-1-carboxylate
CID 137648239
Tremutin G
CID 156009478
Tremutin F
CID 156011974

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The IUPAC name of (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid (CID 100980008) is (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid.
What is the SMILES notation for (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The canonical SMILES for (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid is C=C1CC[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)C/C=C\C=C/1C(=O)O.
What is the InChIKey of (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The InChIKey is CATZMOCHWKLNEK-YXELQZNGSA-N. The full InChI is InChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23)/b5-4-,17-6+/t15-,20+/m1/s1.
What are the key properties of (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
(1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid has a molecular weight of 330.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,6R,7R)-6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 100980008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).