2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene

C17H24 — CID 143619833

IUPAC2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESCC1=C2CC(C)CCC2C(C)C2CC=CC=C12
InChIInChI=1S/C17H24/c1-11-8-9-16-12(2)14-6-4-5-7-15(14)13(3)17(16)10-11/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3
InChIKeyOPYHJIOOOQJWTA-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.89
Rot. Bonds

About 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene

2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene (PubChem CID 143619833) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene.

Molecular Properties

Compound Name2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene
PubChem CID143619833
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene
SMILESCC1=C2CC(C)CCC2C(C)C2CC=CC=C12
InChIInChI=1S/C17H24/c1-11-8-9-16-12(2)14-6-4-5-7-15(14)13(3)17(16)10-11/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3
InChIKeyOPYHJIOOOQJWTA-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene
CID 145156109
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 141084647
2-bromo-2-methyl-3,4,4a,5-tetrahydronaphthalen-1-one
CID 170944222
1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one
CID 71367241
(5S)-5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 142615048
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
9,10-dimethyl-1,2,8,8a-tetrahydroanthracene
CID 145498367
1,2,3,4,7-pentamethylcyclononane
CID 123773414
6-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91083284
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
3-methyl-2-phenyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 146679888

Frequently Asked Questions

What is the IUPAC name of 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The IUPAC name of 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene (CID 143619833) is 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene.
What is the SMILES notation for 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The canonical SMILES for 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene is CC1=C2CC(C)CCC2C(C)C2CC=CC=C12.
What is the InChIKey of 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene?
The InChIKey is OPYHJIOOOQJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-11-8-9-16-12(2)14-6-4-5-7-15(14)13(3)17(16)10-11/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3.
What are the key properties of 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene?
2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene has a molecular weight of 228.38 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,10-trimethyl-1,2,3,4,4a,5,10,10a-octahydroanthracene is sourced from PubChem (CID 143619833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).