methane;1,2,3,4-tetrahydrochrysene

C19H20 — CID 174298676

IUPACmethane;1,2,3,4-tetrahydrochrysene
SMILESC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.CH4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;1H4
InChIKeyYGUKWBZCKZSCKT-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.51
Rot. Bonds

About methane;1,2,3,4-tetrahydrochrysene

methane;1,2,3,4-tetrahydrochrysene (PubChem CID 174298676) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is methane;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namemethane;1,2,3,4-tetrahydrochrysene
PubChem CID174298676
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Namemethane;1,2,3,4-tetrahydrochrysene
SMILESC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.CH4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;1H4
InChIKeyYGUKWBZCKZSCKT-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
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 methane;1,2,3,4-tetrahydrochrysene?
The IUPAC name of methane;1,2,3,4-tetrahydrochrysene (CID 174298676) is methane;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for methane;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for methane;1,2,3,4-tetrahydrochrysene is C.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of methane;1,2,3,4-tetrahydrochrysene?
The InChIKey is YGUKWBZCKZSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.CH4/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;/h1,3,5,7,9-12H,2,4,6,8H2;1H4.
What are the key properties of methane;1,2,3,4-tetrahydrochrysene?
methane;1,2,3,4-tetrahydrochrysene has a molecular weight of 248.37 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 methane;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174298676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).