8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione

C20H24O3 — CID 162965230

IUPAC8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
SMILESCC(C)=C[C@H](O)Cc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2
InChIInChI=1S/C20H24O3/c1-11(2)8-15(21)10-17-13(5)6-7-14-9-16(12(3)4)19(22)20(23)18(14)17/h6-9,12,15,21H,10H2,1-5H3/t15-/m0/s1
InChIKeyWWBQNGTWPSERDV-HNNXBMFYSA-N
MW312.41 g/mol
LogP3.67
Rot. Bonds4

About 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione

8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione (PubChem CID 162965230) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
PubChem CID162965230
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
SMILESCC(C)=C[C@H](O)Cc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2
InChIInChI=1S/C20H24O3/c1-11(2)8-15(21)10-17-13(5)6-7-14-9-16(12(3)4)19(22)20(23)18(14)17/h6-9,12,15,21H,10H2,1-5H3/t15-/m0/s1
InChIKeyWWBQNGTWPSERDV-HNNXBMFYSA-N
XLogP3.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione?
The IUPAC name of 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione (CID 162965230) is 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione.
What is the SMILES notation for 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione?
The canonical SMILES for 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione is CC(C)=C[C@H](O)Cc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2.
What is the InChIKey of 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione?
The InChIKey is WWBQNGTWPSERDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24O3/c1-11(2)8-15(21)10-17-13(5)6-7-14-9-16(12(3)4)19(22)20(23)18(14)17/h6-9,12,15,21H,10H2,1-5H3/t15-/m0/s1.
What are the key properties of 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione?
8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione has a molecular weight of 312.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-4-methylpent-3-enyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione is sourced from PubChem (CID 162965230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).