(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol

C22H28O3 — CID 11975484

IUPAC(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol
SMILESCC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@H](O)[C@](C)(O)C12CC2
InChIInChI=1S/C22H28O3/c1-15(13-17-7-5-4-6-8-17)14-19-16(2)22(10-11-22)21(3,25)20(24)18(19)9-12-23/h4-9,13,20,23-25H,10-12,14H2,1-3H3/b15-13+,18-9-/t20-,21-/m0/s1
InChIKeyOSMLUOIPYDBDPE-WFEXEHRJSA-N
MW340.46 g/mol
LogP3.62
Rot. Bonds4

About (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol

(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol (PubChem CID 11975484) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol.

Molecular Properties

Compound Name(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol
PubChem CID11975484
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol
SMILESCC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@H](O)[C@](C)(O)C12CC2
InChIInChI=1S/C22H28O3/c1-15(13-17-7-5-4-6-8-17)14-19-16(2)22(10-11-22)21(3,25)20(24)18(19)9-12-23/h4-9,13,20,23-25H,10-12,14H2,1-3H3/b15-13+,18-9-/t20-,21-/m0/s1
InChIKeyOSMLUOIPYDBDPE-WFEXEHRJSA-N
XLogP3.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol 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 (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol?
The IUPAC name of (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol (CID 11975484) is (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol.
What is the SMILES notation for (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol?
The canonical SMILES for (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol is CC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@H](O)[C@](C)(O)C12CC2.
What is the InChIKey of (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol?
The InChIKey is OSMLUOIPYDBDPE-WFEXEHRJSA-N. The full InChI is InChI=1S/C22H28O3/c1-15(13-17-7-5-4-6-8-17)14-19-16(2)22(10-11-22)21(3,25)20(24)18(19)9-12-23/h4-9,13,20,23-25H,10-12,14H2,1-3H3/b15-13+,18-9-/t20-,21-/m0/s1.
What are the key properties of (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol?
(6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol has a molecular weight of 340.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7S,8R)-6-(2-hydroxyethylidene)-4,8-dimethyl-5-[(E)-2-methyl-3-phenylprop-2-enyl]spiro[2.5]oct-4-ene-7,8-diol is sourced from PubChem (CID 11975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).