5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione

C19H24O5 — CID 10688014

IUPAC5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(C(CCC(C)C)OC)C2=O
InChIInChI=1S/C19H24O5/c1-11(2)6-7-14(22-3)12-10-13(20)17-15(23-4)8-9-16(24-5)18(17)19(12)21/h8-11,14H,6-7H2,1-5H3
InChIKeyKBOAERBRIILXSR-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.46
Rot. Bonds7

About 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione

5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione (PubChem CID 10688014) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione
PubChem CID10688014
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(C(CCC(C)C)OC)C2=O
InChIInChI=1S/C19H24O5/c1-11(2)6-7-14(22-3)12-10-13(20)17-15(23-4)8-9-16(24-5)18(17)19(12)21/h8-11,14H,6-7H2,1-5H3
InChIKeyKBOAERBRIILXSR-UHFFFAOYSA-N
XLogP3.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(1-dodecoxy-4-methylpentyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 10838655
2-(2-hydroxypropylsulfanyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 142711894
2-ethylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 57410783
5,8-dimethoxy-2-propanoylnaphthalene-1,4-dione
CID 10636032
5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione
CID 142711879
2-butylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 142691059
S-[1-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 4-methoxybenzenecarbothioate
CID 141163844
5,8-dimethoxy-2-propan-2-yl-3-sulfanylnaphthalene-1,4-dione
CID 175116593
2-heptanoyl-5,8-dimethoxynaphthalene-1,4-dione
CID 10496652
2-hexylsulfinyl-5,8-dimethoxynaphthalene-1,4-dione
CID 69187139
2-[2-(2-hydroxyethoxy)ethylamino]-5,8-dimethoxynaphthalene-1,4-dione
CID 142711941
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione?
The IUPAC name of 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione (CID 10688014) is 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione.
What is the SMILES notation for 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione?
The canonical SMILES for 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione is COc1ccc(OC)c2c1C(=O)C=C(C(CCC(C)C)OC)C2=O.
What is the InChIKey of 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione?
The InChIKey is KBOAERBRIILXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-11(2)6-7-14(22-3)12-10-13(20)17-15(23-4)8-9-16(24-5)18(17)19(12)21/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione?
5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione has a molecular weight of 332.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione is sourced from PubChem (CID 10688014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).