(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol

C22H30O3 — CID 162946144

IUPAC(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol
SMILESC=C(CCC=C(C)C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1
InChIInChI=1S/C22H30O3/c1-15(2)7-6-8-17(4)19(23)10-12-22(5)11-9-18-20(24)13-16(3)14-21(18)25-22/h7,9,11,13-14,19,23-24H,4,6,8,10,12H2,1-3,5H3/t19-,22-/m0/s1
InChIKeyRXKAJVPBSTXEAH-UGKGYDQZSA-N
MW342.48 g/mol
LogP5.31
Rot. Bonds7

About (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol

(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol (PubChem CID 162946144) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol
PubChem CID162946144
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol
SMILESC=C(CCC=C(C)C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1
InChIInChI=1S/C22H30O3/c1-15(2)7-6-8-17(4)19(23)10-12-22(5)11-9-18-20(24)13-16(3)14-21(18)25-22/h7,9,11,13-14,19,23-24H,4,6,8,10,12H2,1-3,5H3/t19-,22-/m0/s1
InChIKeyRXKAJVPBSTXEAH-UGKGYDQZSA-N
XLogP5.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol?
The IUPAC name of (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol (CID 162946144) is (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol.
What is the SMILES notation for (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol?
The canonical SMILES for (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol is C=C(CCC=C(C)C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1.
What is the InChIKey of (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol?
The InChIKey is RXKAJVPBSTXEAH-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H30O3/c1-15(2)7-6-8-17(4)19(23)10-12-22(5)11-9-18-20(24)13-16(3)14-21(18)25-22/h7,9,11,13-14,19,23-24H,4,6,8,10,12H2,1-3,5H3/t19-,22-/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol?
(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol has a molecular weight of 342.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol is sourced from PubChem (CID 162946144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).