1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene

C20H20 — CID 86201584

IUPAC1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene
SMILESCC1=C(C)C2(C)c3ccccc3-c3ccccc3C12C
InChIInChI=1S/C20H20/c1-13-14(2)20(4)18-12-8-6-10-16(18)15-9-5-7-11-17(15)19(13,20)3/h5-12H,1-4H3
InChIKeyGZYPIFWDJBMLCU-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.23
Rot. Bonds

About 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene

1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene (PubChem CID 86201584) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene.

Molecular Properties

Compound Name1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene
PubChem CID86201584
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene
SMILESCC1=C(C)C2(C)c3ccccc3-c3ccccc3C12C
InChIInChI=1S/C20H20/c1-13-14(2)20(4)18-12-8-6-10-16(18)15-9-5-7-11-17(15)19(13,20)3/h5-12H,1-4H3
InChIKeyGZYPIFWDJBMLCU-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
5-Methylchrysene
CID 19427
O-Terphenyl
CID 6766
9,10-Dimethylanthracene
CID 13076
Melitracene
CID 25382
8-Methylbenz(a)anthracene
CID 16933
12-Methylbenz(a)anthracene
CID 17026
7-Methylbenz(a)anthracene
CID 17347
2,6-Diisopropylnaphthalene
CID 32241
1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
1-Methylphenanthrene
CID 13257

Frequently Asked Questions

What is the IUPAC name of 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene?
The IUPAC name of 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene (CID 86201584) is 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene.
What is the SMILES notation for 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene?
The canonical SMILES for 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene is CC1=C(C)C2(C)c3ccccc3-c3ccccc3C12C.
What is the InChIKey of 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene?
The InChIKey is GZYPIFWDJBMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-13-14(2)20(4)18-12-8-6-10-16(18)15-9-5-7-11-17(15)19(13,20)3/h5-12H,1-4H3.
What are the key properties of 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene?
1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene has a molecular weight of 260.38 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,10b-tetramethylcyclobuta[l]phenanthrene is sourced from PubChem (CID 86201584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).