9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene

C16H18 — CID 145156109

IUPAC9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene
SMILESCC1=C2C=CC=CC2C(C)C2CC=CC=C12
InChIInChI=1S/C16H18/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-9,12,15-16H,10H2,1-2H3
InChIKeyOSHHOEAJOROIIF-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.20
Rot. Bonds

About 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene

9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene (PubChem CID 145156109) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene.

Molecular Properties

Compound Name9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene
PubChem CID145156109
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene
SMILESCC1=C2C=CC=CC2C(C)C2CC=CC=C12
InChIInChI=1S/C16H18/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-9,12,15-16H,10H2,1-2H3
InChIKeyOSHHOEAJOROIIF-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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12,27-dimethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6(11),9,14,22,24,26,28,33-undecaene
CID 123495218
1,8a,9a,10a-tetrahydroanthracene-9,10-dione
CID 18624886
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CID 54530112
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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene?
The IUPAC name of 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene (CID 145156109) is 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene.
What is the SMILES notation for 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene?
The canonical SMILES for 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene is CC1=C2C=CC=CC2C(C)C2CC=CC=C12.
What is the InChIKey of 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene?
The InChIKey is OSHHOEAJOROIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-9,12,15-16H,10H2,1-2H3.
What are the key properties of 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene?
9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene has a molecular weight of 210.32 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene is sourced from PubChem (CID 145156109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).