anthracene;2-methylpropane

C18H20 — CID 142471530

IUPACanthracene;2-methylpropane
SMILESCC(C)C.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)3/h1-10H;4H,1-3H3
InChIKeySSQCCAPOYGRLGF-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.66
Rot. Bonds

About anthracene;2-methylpropane

anthracene;2-methylpropane (PubChem CID 142471530) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is anthracene;2-methylpropane.

Molecular Properties

Compound Nameanthracene;2-methylpropane
PubChem CID142471530
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameanthracene;2-methylpropane
SMILESCC(C)C.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)3/h1-10H;4H,1-3H3
InChIKeySSQCCAPOYGRLGF-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158

Frequently Asked Questions

What is the IUPAC name of anthracene;2-methylpropane?
The IUPAC name of anthracene;2-methylpropane (CID 142471530) is anthracene;2-methylpropane.
What is the SMILES notation for anthracene;2-methylpropane?
The canonical SMILES for anthracene;2-methylpropane is CC(C)C.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;2-methylpropane?
The InChIKey is SSQCCAPOYGRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C4H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)3/h1-10H;4H,1-3H3.
What are the key properties of anthracene;2-methylpropane?
anthracene;2-methylpropane has a molecular weight of 236.36 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;2-methylpropane is sourced from PubChem (CID 142471530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).