bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)

C48H52O4 — CID 162232835

IUPACbis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)
SMILESCOCC1C=CC=CC1.COCC1C=CC=CC1.COCc1c2ccccc2cc2ccccc12.COCc1c2ccccc2cc2ccccc12
InChIInChI=1S/2C16H14O.2C8H12O/c2*1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;2*1-9-7-8-5-3-2-4-6-8/h2*2-10H,11H2,1H3;2*2-5,8H,6-7H2,1H3
InChIKeyZVQVDHVJOLLEMT-UHFFFAOYSA-N
MW692.94 g/mol
LogP11.81
Rot. Bonds8

About bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)

bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene) (PubChem CID 162232835) has the molecular formula C48H52O4 and a molecular weight of 692.94 g/mol. Its IUPAC name is bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene).

Molecular Properties

Compound Namebis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)
PubChem CID162232835
Molecular FormulaC48H52O4
Molecular Weight692.94 g/mol
Exact Mass692.39
IUPAC Namebis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)
SMILESCOCC1C=CC=CC1.COCC1C=CC=CC1.COCc1c2ccccc2cc2ccccc12.COCc1c2ccccc2cc2ccccc12
InChIInChI=1S/2C16H14O.2C8H12O/c2*1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;2*1-9-7-8-5-3-2-4-6-8/h2*2-10H,11H2,1H3;2*2-5,8H,6-7H2,1H3
InChIKeyZVQVDHVJOLLEMT-UHFFFAOYSA-N
XLogP11.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.94
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

diethoxysilane;9-(methoxymethyl)anthracene
CID 173247688
2-ethenyl-1-(methoxymethyl)-3-methylnaphthalene;propane
CID 143275864
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
cyclohexa-2,4-dien-1-ylmethylbenzene;ethane;bis(1,2,3,4,5,6-hexamethylbenzene);naphthalene
CID 159196331
9-(methoxymethyl)-10-methylanthracene
CID 12579234
2-[2-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]-6-(methoxymethyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 143475117
9-(methoxymethyl)phenanthrene
CID 15557052
9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
anthracen-9-ylmethyl acetate
CID 27876
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
10-(methoxymethyl)anthracen-9-ol
CID 58645182
cyclohexa-2,4-dien-1-ylmethoxy(methoxy)methanol
CID 123894512

Frequently Asked Questions

What is the IUPAC name of bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)?
The IUPAC name of bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene) (CID 162232835) is bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene).
What is the SMILES notation for bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)?
The canonical SMILES for bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene) is COCC1C=CC=CC1.COCC1C=CC=CC1.COCc1c2ccccc2cc2ccccc12.COCc1c2ccccc2cc2ccccc12.
What is the InChIKey of bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)?
The InChIKey is ZVQVDHVJOLLEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14O.2C8H12O/c2*1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;2*1-9-7-8-5-3-2-4-6-8/h2*2-10H,11H2,1H3;2*2-5,8H,6-7H2,1H3.
What are the key properties of bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene)?
bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene) has a molecular weight of 692.94 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-(methoxymethyl)anthracene);bis(5-(methoxymethyl)cyclohexa-1,3-diene) is sourced from PubChem (CID 162232835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).