CID 160775915

C4H80 — CID 160775915

IUPAC—
SMILESC.C.C.C.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/4CH4.32H2/h4*1H4;32*1H/i;;;;26*1+1D;6*1+1
InChIKeyRZYBCCJJEUVEMC-YSBQGMSGSA-N
MW187.04 g/mol
LogP10.42
Rot. Bonds

About CID 160775915

CID 160775915 (PubChem CID 160775915) has the molecular formula C4H80 and a molecular weight of 187.04 g/mol.

Molecular Properties

Compound NameCID 160775915
PubChem CID160775915
Molecular FormulaC4H80
Molecular Weight187.04 g/mol
Exact Mass186.99
IUPAC Name—
SMILESC.C.C.C.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/4CH4.32H2/h4*1H4;32*1H/i;;;;26*1+1D;6*1+1
InChIKeyRZYBCCJJEUVEMC-YSBQGMSGSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500187.04
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 160775915?
The IUPAC name of CID 160775915 (CID 160775915) is not available.
What is the SMILES notation for CID 160775915?
The canonical SMILES for CID 160775915 is C.C.C.C.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 160775915?
The InChIKey is RZYBCCJJEUVEMC-YSBQGMSGSA-N. The full InChI is InChI=1S/4CH4.32H2/h4*1H4;32*1H/i;;;;26*1+1D;6*1+1.
What are the key properties of CID 160775915?
CID 160775915 has a molecular weight of 187.04 g/mol, XLogP of 10.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160775915 is sourced from PubChem (CID 160775915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).