1,1-dimethyl-3,4-dihydro-2H-chrysene

C20H20 — CID 174256276

IUPAC1,1-dimethyl-3,4-dihydro-2H-chrysene
SMILESCC1(C)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-7,9-12H,5,8,13H2,1-2H3
InChIKeyNMCWKADQMPBIBU-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.61
Rot. Bonds

About 1,1-dimethyl-3,4-dihydro-2H-chrysene

1,1-dimethyl-3,4-dihydro-2H-chrysene (PubChem CID 174256276) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-dihydro-2H-chrysene.

Molecular Properties

Compound Name1,1-dimethyl-3,4-dihydro-2H-chrysene
PubChem CID174256276
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,1-dimethyl-3,4-dihydro-2H-chrysene
SMILESCC1(C)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-7,9-12H,5,8,13H2,1-2H3
InChIKeyNMCWKADQMPBIBU-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
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

1-methyl-3,4-dihydro-2H-chrysen-1-ol
CID 174353306
3,4-dihydro-2H-chrysene-1,1-diamine
CID 174437347
7-benzyl-1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174658596
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
2,2-dimethyl-3,4-dihydro-1H-picene
CID 14298822
3,3-dimethyl-2,4-dihydro-1H-chrysene
CID 174587374
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
17-[(2R)-5,6-dimethylheptan-2-yl]-17-methyl-15,16-dihydrocyclopenta[a]phenanthrene
CID 101102026

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-chrysene?
The IUPAC name of 1,1-dimethyl-3,4-dihydro-2H-chrysene (CID 174256276) is 1,1-dimethyl-3,4-dihydro-2H-chrysene.
What is the SMILES notation for 1,1-dimethyl-3,4-dihydro-2H-chrysene?
The canonical SMILES for 1,1-dimethyl-3,4-dihydro-2H-chrysene is CC1(C)CCCc2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 1,1-dimethyl-3,4-dihydro-2H-chrysene?
The InChIKey is NMCWKADQMPBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-7,9-12H,5,8,13H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,4-dihydro-2H-chrysene?
1,1-dimethyl-3,4-dihydro-2H-chrysene has a molecular weight of 260.38 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-dihydro-2H-chrysene is sourced from PubChem (CID 174256276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).