CID 57459119

C13H13 — CID 57459119

IUPAC—
SMILES[CH2]CCc1ccc2ccccc2c1
InChIInChI=1S/C13H13/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h3-4,6-10H,1-2,5H2
InChIKeyASGJJAAZUZQSBL-UHFFFAOYSA-N
MW169.25 g/mol
LogP3.61
Rot. Bonds2

About CID 57459119

CID 57459119 (PubChem CID 57459119) has the molecular formula C13H13 and a molecular weight of 169.25 g/mol.

Molecular Properties

Compound NameCID 57459119
PubChem CID57459119
Molecular FormulaC13H13
Molecular Weight169.25 g/mol
Exact Mass169.10
IUPAC Name—
SMILES[CH2]CCc1ccc2ccccc2c1
InChIInChI=1S/C13H13/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h3-4,6-10H,1-2,5H2
InChIKeyASGJJAAZUZQSBL-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
3-naphthalen-2-ylpropanenitrile
CID 13308301
2-dodec-11-enylnaphthalene
CID 101307470
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-benzylnaphthalene
CID 11948
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
ethane;2-ethylnaphthalene
CID 90684887
2-(3-iodobutyl)naphthalene
CID 162353144
triethyl(2-naphthalen-2-ylethyl)silane
CID 140900130
ethane;2-hexylnaphthalene
CID 142191207

Frequently Asked Questions

What is the IUPAC name of CID 57459119?
The IUPAC name of CID 57459119 (CID 57459119) is not available.
What is the SMILES notation for CID 57459119?
The canonical SMILES for CID 57459119 is [CH2]CCc1ccc2ccccc2c1.
What is the InChIKey of CID 57459119?
The InChIKey is ASGJJAAZUZQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13/c1-2-5-11-8-9-12-6-3-4-7-13(12)10-11/h3-4,6-10H,1-2,5H2.
What are the key properties of CID 57459119?
CID 57459119 has a molecular weight of 169.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57459119 is sourced from PubChem (CID 57459119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).