1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene

C23H36 — CID 142986955

IUPAC1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
SMILESCCC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C23H36/c1-9-23(8)13-12-22(6,7)18-14-16-17(15-19(18)23)21(4,5)11-10-20(16,2)3/h14-15H,9-13H2,1-8H3
InChIKeyDJSFXPMDOZJFGY-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.77
Rot. Bonds1

About 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene

1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene (PubChem CID 142986955) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene.

Molecular Properties

Compound Name1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
PubChem CID142986955
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
SMILESCCC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C23H36/c1-9-23(8)13-12-22(6,7)18-14-16-17(15-19(18)23)21(4,5)11-10-20(16,2)3/h14-15H,9-13H2,1-8H3
InChIKeyDJSFXPMDOZJFGY-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1,1,4,6-tetramethyl-2,3-dihydronaphthalene;methane;2-methylnaphthalene
CID 142040803
(Z)-[(4-bromophenyl)-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine
CID 142982133
1,2-bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-12-propyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2(11),3,9,13(22),14,20,23(32),24,30-nonaenyl)diphosphirane
CID 177434695
[5-(5-ethyl-3,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,3-difluoro-4-methoxyphenyl]methanimine
CID 142215401
6-ethyl-1,1,4,4-tetramethyl-7-prop-1-en-2-yl-2,3-dihydronaphthalene
CID 617787
ethyl (2Z,4E,6E)-7-(8-ethyl-3-hydroxy-5,5,8-trimethyl-6,7-dihydronaphthalen-2-yl)-2,6-difluoro-3-methylnona-2,4,6-trienoate
CID 142926439
6-bromo-1-ethyl-4,4-dimethyl-2,3-dihydronaphthalen-1-ol
CID 22218273
bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2,4(9),10,13,15(20),21,23,25(30),31-nonaenyl)-sulfanylidenegermane
CID 177441147
(E)-1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidenehydrazine
CID 56923567
6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 2800891
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
CID 19595639
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one
CID 90261173

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene?
The IUPAC name of 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene (CID 142986955) is 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene.
What is the SMILES notation for 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene?
The canonical SMILES for 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene is CCC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C.
What is the InChIKey of 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene?
The InChIKey is DJSFXPMDOZJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-9-23(8)13-12-22(6,7)18-14-16-17(15-19(18)23)21(4,5)11-10-20(16,2)3/h14-15H,9-13H2,1-8H3.
What are the key properties of 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene?
1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene has a molecular weight of 312.54 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene is sourced from PubChem (CID 142986955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).