(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

C15H20O4 — CID 5314517

IUPAC(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCOCC[C@@H]1C=CCC2C(=O)C=C(OC)C(=O)C21C
InChIInChI=1S/C15H20O4/c1-15-10(7-8-18-2)5-4-6-11(15)12(16)9-13(19-3)14(15)17/h4-5,9-11H,6-8H2,1-3H3/t10-,11?,15?/m0/s1
InChIKeyPLYZIDBAWUSHNL-NLTNOIMHSA-N
MW264.32 g/mol
LogP1.90
Rot. Bonds4

About (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 5314517) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID5314517
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESCOCC[C@@H]1C=CCC2C(=O)C=C(OC)C(=O)C21C
InChIInChI=1S/C15H20O4/c1-15-10(7-8-18-2)5-4-6-11(15)12(16)9-13(19-3)14(15)17/h4-5,9-11H,6-8H2,1-3H3/t10-,11?,15?/m0/s1
InChIKeyPLYZIDBAWUSHNL-NLTNOIMHSA-N
XLogP1.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R,7R)-7-ethenyl-2,3-dimethoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 637396
Heliotropinone A
CID 10402654
(6S,7R)-7-ethenyl-2-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 162911881
(4As,8as)-2-methoxy-6,8a-dimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 247072
2-Methoxy-4A-methyl-4A,5,8,8A-tetrahydro-(1,4)naphthoquinone
CID 350892
(4aS,5S,8aR)-3-methoxy-5,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 10944001
(4aS,8R,8aR)-3-methoxy-8,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 12625703
(4aS,8aR)-3-methoxy-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 13439408
(4aR,8aS)-2-methoxy-8a-methyl-3-propan-2-yl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 101358444
(4aR,8S,8aS)-2-methoxy-8-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 134894773
(4aR,5R,8aS)-2-methoxy-5-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 134894836
(4aS,8aS)-2,8a-dimethoxy-6-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
CID 134980545

Frequently Asked Questions

What is the IUPAC name of (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 5314517) is (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione is COCC[C@@H]1C=CCC2C(=O)C=C(OC)C(=O)C21C.
What is the InChIKey of (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is PLYZIDBAWUSHNL-NLTNOIMHSA-N. The full InChI is InChI=1S/C15H20O4/c1-15-10(7-8-18-2)5-4-6-11(15)12(16)9-13(19-3)14(15)17/h4-5,9-11H,6-8H2,1-3H3/t10-,11?,15?/m0/s1.
What are the key properties of (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
(8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione has a molecular weight of 264.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-methoxy-8-(2-methoxyethyl)-8a-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 5314517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).