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

C20H20 — CID 174587374

IUPAC3,3-dimethyl-2,4-dihydro-1H-chrysene
SMILESCC1(C)CCc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C20H20/c1-20(2)12-11-15-8-9-17-16-6-4-3-5-14(16)7-10-18(17)19(15)13-20/h3-10H,11-13H2,1-2H3
InChIKeyXIPLAPZSGBEOMH-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.51
Rot. Bonds

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

3,3-dimethyl-2,4-dihydro-1H-chrysene (PubChem CID 174587374) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dihydro-1H-chrysene.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dihydro-1H-chrysene
PubChem CID174587374
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name3,3-dimethyl-2,4-dihydro-1H-chrysene
SMILESCC1(C)CCc2ccc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C20H20/c1-20(2)12-11-15-8-9-17-16-6-4-3-5-14(16)7-10-18(17)19(15)13-20/h3-10H,11-13H2,1-2H3
InChIKeyXIPLAPZSGBEOMH-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-chrysene?
The IUPAC name of 3,3-dimethyl-2,4-dihydro-1H-chrysene (CID 174587374) is 3,3-dimethyl-2,4-dihydro-1H-chrysene.
What is the SMILES notation for 3,3-dimethyl-2,4-dihydro-1H-chrysene?
The canonical SMILES for 3,3-dimethyl-2,4-dihydro-1H-chrysene is CC1(C)CCc2ccc3c(ccc4ccccc43)c2C1.
What is the InChIKey of 3,3-dimethyl-2,4-dihydro-1H-chrysene?
The InChIKey is XIPLAPZSGBEOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-20(2)12-11-15-8-9-17-16-6-4-3-5-14(16)7-10-18(17)19(15)13-20/h3-10H,11-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dihydro-1H-chrysene?
3,3-dimethyl-2,4-dihydro-1H-chrysene has a molecular weight of 260.38 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dihydro-1H-chrysene is sourced from PubChem (CID 174587374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).