CID 174861989

C15H24 — CID 174861989

IUPAC—
SMILESC.CC.[2H][2H].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C2H6.CH4.H2/c2*1-2-4-6-5-3-1;1-2;;/h2*1-6H;1-2H3;1H4;1H/i;;;;1+1D
InChIKeyNLJWTVRBAVBFHD-YKVJHHDASA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds

About CID 174861989

CID 174861989 (PubChem CID 174861989) has the molecular formula C15H24 and a molecular weight of 206.37 g/mol.

Molecular Properties

Compound NameCID 174861989
PubChem CID174861989
Molecular FormulaC15H24
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name—
SMILESC.CC.[2H][2H].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C2H6.CH4.H2/c2*1-2-4-6-5-3-1;1-2;;/h2*1-6H;1-2H3;1H4;1H/i;;;;1+1D
InChIKeyNLJWTVRBAVBFHD-YKVJHHDASA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 174861989?
The IUPAC name of CID 174861989 (CID 174861989) is not available.
What is the SMILES notation for CID 174861989?
The canonical SMILES for CID 174861989 is C.CC.[2H][2H].c1ccccc1.c1ccccc1.
What is the InChIKey of CID 174861989?
The InChIKey is NLJWTVRBAVBFHD-YKVJHHDASA-N. The full InChI is InChI=1S/2C6H6.C2H6.CH4.H2/c2*1-2-4-6-5-3-1;1-2;;/h2*1-6H;1-2H3;1H4;1H/i;;;;1+1D.
What are the key properties of CID 174861989?
CID 174861989 has a molecular weight of 206.37 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174861989 is sourced from PubChem (CID 174861989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).