(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one

C24H38O4 — CID 10000481

IUPAC(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one
SMILESC=C1CC/C=C/[C@H](O)[C@H](C)/C=C/[C@H]([C@H](O)[C@H](C)/C=C/CCC)OC(=O)C[C@H]1C
InChIInChI=1S/C24H38O4/c1-6-7-8-12-19(4)24(27)22-15-14-18(3)21(25)13-10-9-11-17(2)20(5)16-23(26)28-22/h8,10,12-15,18-22,24-25,27H,2,6-7,9,11,16H2,1,3-5H3/b12-8+,13-10+,15-14+/t18-,19-,20-,21+,22-,24-/m1/s1
InChIKeyYYLMDSJRCIURAD-YAQNPAFLSA-N
MW390.56 g/mol
LogP4.74
Rot. Bonds5

About (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one

(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one (PubChem CID 10000481) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one.

Molecular Properties

Compound Name(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one
PubChem CID10000481
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one
SMILESC=C1CC/C=C/[C@H](O)[C@H](C)/C=C/[C@H]([C@H](O)[C@H](C)/C=C/CCC)OC(=O)C[C@H]1C
InChIInChI=1S/C24H38O4/c1-6-7-8-12-19(4)24(27)22-15-14-18(3)21(25)13-10-9-11-17(2)20(5)16-23(26)28-22/h8,10,12-15,18-22,24-25,27H,2,6-7,9,11,16H2,1,3-5H3/b12-8+,13-10+,15-14+/t18-,19-,20-,21+,22-,24-/m1/s1
InChIKeyYYLMDSJRCIURAD-YAQNPAFLSA-N
XLogP4.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one?
The IUPAC name of (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one (CID 10000481) is (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one.
What is the SMILES notation for (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one?
The canonical SMILES for (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one is C=C1CC/C=C/[C@H](O)[C@H](C)/C=C/[C@H]([C@H](O)[C@H](C)/C=C/CCC)OC(=O)C[C@H]1C.
What is the InChIKey of (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one?
The InChIKey is YYLMDSJRCIURAD-YAQNPAFLSA-N. The full InChI is InChI=1S/C24H38O4/c1-6-7-8-12-19(4)24(27)22-15-14-18(3)21(25)13-10-9-11-17(2)20(5)16-23(26)28-22/h8,10,12-15,18-22,24-25,27H,2,6-7,9,11,16H2,1,3-5H3/b12-8+,13-10+,15-14+/t18-,19-,20-,21+,22-,24-/m1/s1.
What are the key properties of (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one?
(4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one has a molecular weight of 390.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8E,10S,11R,12E,14R)-10-hydroxy-14-[(E,1R,2R)-1-hydroxy-2-methylhept-3-enyl]-4,11-dimethyl-5-methylidene-1-oxacyclotetradeca-8,12-dien-2-one is sourced from PubChem (CID 10000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).