1,6-dimethylphenanthrene;ethane

C20H26 — CID 144939314

IUPAC1,6-dimethylphenanthrene;ethane
SMILESCC.CC.Cc1ccc2ccc3c(C)cccc3c2c1
InChIInChI=1S/C16H14.2C2H6/c1-11-6-7-13-8-9-14-12(2)4-3-5-15(14)16(13)10-11;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyNSHIDPUBZOWUFC-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.66
Rot. Bonds

About 1,6-dimethylphenanthrene;ethane

1,6-dimethylphenanthrene;ethane (PubChem CID 144939314) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,6-dimethylphenanthrene;ethane.

Molecular Properties

Compound Name1,6-dimethylphenanthrene;ethane
PubChem CID144939314
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,6-dimethylphenanthrene;ethane
SMILESCC.CC.Cc1ccc2ccc3c(C)cccc3c2c1
InChIInChI=1S/C16H14.2C2H6/c1-11-6-7-13-8-9-14-12(2)4-3-5-15(14)16(13)10-11;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyNSHIDPUBZOWUFC-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethylpicene
CID 15509
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
methane;1-methylphenanthrene
CID 175001905
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
ethane;2-methyltriphenylene
CID 91569125
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932
ethane;1-methylchrysene;6-methylchrysene;3-methylfluoranthene;1-methyltriphenylene;2-methyltriphenylene
CID 158817490
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2,7-dimethyltriphenylene
CID 23261750
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylphenanthrene;ethane?
The IUPAC name of 1,6-dimethylphenanthrene;ethane (CID 144939314) is 1,6-dimethylphenanthrene;ethane.
What is the SMILES notation for 1,6-dimethylphenanthrene;ethane?
The canonical SMILES for 1,6-dimethylphenanthrene;ethane is CC.CC.Cc1ccc2ccc3c(C)cccc3c2c1.
What is the InChIKey of 1,6-dimethylphenanthrene;ethane?
The InChIKey is NSHIDPUBZOWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.2C2H6/c1-11-6-7-13-8-9-14-12(2)4-3-5-15(14)16(13)10-11;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of 1,6-dimethylphenanthrene;ethane?
1,6-dimethylphenanthrene;ethane has a molecular weight of 266.43 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylphenanthrene;ethane is sourced from PubChem (CID 144939314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).