(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid

C21H30O5 — CID 24862634

IUPAC(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid
SMILESC/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(/C)CCCC1=CC(=O)OC1=O
InChIInChI=1S/C21H30O5/c1-15(9-5-11-17(3)13-19(22)23)7-4-8-16(2)10-6-12-18-14-20(24)26-21(18)25/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,22,23)/b15-9-,16-8-/t17-/m1/s1
InChIKeyULSWZKPKBXRFOP-XBCBCFQOSA-N
MW362.47 g/mol
LogP4.73
Rot. Bonds12

About (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid

(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid (PubChem CID 24862634) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid.

Molecular Properties

Compound Name(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid
PubChem CID24862634
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Name(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid
SMILESC/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(/C)CCCC1=CC(=O)OC1=O
InChIInChI=1S/C21H30O5/c1-15(9-5-11-17(3)13-19(22)23)7-4-8-16(2)10-6-12-18-14-20(24)26-21(18)25/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,22,23)/b15-9-,16-8-/t17-/m1/s1
InChIKeyULSWZKPKBXRFOP-XBCBCFQOSA-N
XLogP4.73
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-((1S,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexanoic acid
CID 16046722
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
(3aR,6E,10Z,14E,15aR)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
CID 5352100
Kericembrenolide D
CID 10317290
(3aS,6E,10E,14E,15aS)-2,3,3a,4,5,8,9,12,13,15a-Decahydro-6,14-dimethyl-3-methylene-2-oxocyclotetradeca(b)furan-10-carboxylic acid
CID 6475569
Crassumolide C
CID 25156698
Anisomelic acid
CID 5358705
(7Z)-Lobohedleolide
CID 6475568
Pycnolide
CID 11953938
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
NCGC00381246-01_C20H30O5_2-Cyclopentene-1-octanoic acid, 1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-
CID 45782994

Frequently Asked Questions

What is the IUPAC name of (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid?
The IUPAC name of (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid (CID 24862634) is (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid.
What is the SMILES notation for (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid?
The canonical SMILES for (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid is C/C(=C/CC[C@@H](C)CC(=O)O)CC/C=C(/C)CCCC1=CC(=O)OC1=O.
What is the InChIKey of (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid?
The InChIKey is ULSWZKPKBXRFOP-XBCBCFQOSA-N. The full InChI is InChI=1S/C21H30O5/c1-15(9-5-11-17(3)13-19(22)23)7-4-8-16(2)10-6-12-18-14-20(24)26-21(18)25/h8-9,14,17H,4-7,10-13H2,1-3H3,(H,22,23)/b15-9-,16-8-/t17-/m1/s1.
What are the key properties of (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid?
(3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid has a molecular weight of 362.47 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z,10Z)-14-(2,5-dioxofuran-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid is sourced from PubChem (CID 24862634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).