(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid

C20H32O4 — CID 163188368

IUPAC(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid
SMILESCC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@H](O)C/C=C(/C)CC1
InChIInChI=1S/C20H32O4/c1-13(2)16-9-5-14(3)7-11-17(21)19(20(23)24)18(22)12-8-15(4)6-10-16/h5,8,17-19,21-22H,6-7,9-12H2,1-4H3,(H,23,24)/b14-5+,15-8-/t17-,18+,19-/m0/s1
InChIKeyMUKKWTZBXOOCHN-QJQSDJGLSA-N
MW336.47 g/mol
LogP3.99
Rot. Bonds1

About (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid

(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid (PubChem CID 163188368) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid
PubChem CID163188368
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid
SMILESCC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@H](O)C/C=C(/C)CC1
InChIInChI=1S/C20H32O4/c1-13(2)16-9-5-14(3)7-11-17(21)19(20(23)24)18(22)12-8-15(4)6-10-16/h5,8,17-19,21-22H,6-7,9-12H2,1-4H3,(H,23,24)/b14-5+,15-8-/t17-,18+,19-/m0/s1
InChIKeyMUKKWTZBXOOCHN-QJQSDJGLSA-N
XLogP3.99
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic 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

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
CID 5282031
Plakortide N
CID 10090339
Plakortide M
CID 11724719
Ecraprost
CID 6917049
Ebelactone B
CID 6436821
Octyldodecyl Ricinoleate
CID 87962722
(-)-Muqubilin A
CID 21600068
Muqubilin
CID 6436222
Ebelactone A
CID 6436820
9-Undecen-2-one, 4-hydroxy-3,6,10-trimethyl-
CID 109182
5-Hydroxy-7,11-dimethyldodec-10-en-3-one
CID 111441
Epimuqubilin A
CID 21600069

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid?
The IUPAC name of (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid (CID 163188368) is (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid.
What is the SMILES notation for (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid?
The canonical SMILES for (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid is CC(C)=C1C/C=C(\C)CC[C@H](O)[C@H](C(=O)O)[C@H](O)C/C=C(/C)CC1.
What is the InChIKey of (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid?
The InChIKey is MUKKWTZBXOOCHN-QJQSDJGLSA-N. The full InChI is InChI=1S/C20H32O4/c1-13(2)16-9-5-14(3)7-11-17(21)19(20(23)24)18(22)12-8-15(4)6-10-16/h5,8,17-19,21-22H,6-7,9-12H2,1-4H3,(H,23,24)/b14-5+,15-8-/t17-,18+,19-/m0/s1.
What are the key properties of (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid?
(1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid has a molecular weight of 336.47 g/mol, XLogP of 3.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4Z,10E,14S)-2,14-dihydroxy-5,11-dimethyl-8-propan-2-ylidenecyclotetradeca-4,10-diene-1-carboxylic acid is sourced from PubChem (CID 163188368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).