CID 157227438

C40H202 — CID 157227438

IUPAC—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[H][3H]
InChIInChI=1S/40CH4.21H2/h40*1H4;21*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2T;1+2
InChIKeyATRXJQZPGLRVCG-TVYSSVBCSA-N
MW766.39 g/mol
LogP30.61
Rot. Bonds

About CID 157227438

CID 157227438 (PubChem CID 157227438) has the molecular formula C40H202 and a molecular weight of 766.39 g/mol.

Molecular Properties

Compound NameCID 157227438
PubChem CID157227438
Molecular FormulaC40H202
Molecular Weight766.39 g/mol
Exact Mass765.92
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[H][3H]
InChIInChI=1S/40CH4.21H2/h40*1H4;21*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2T;1+2
InChIKeyATRXJQZPGLRVCG-TVYSSVBCSA-N
XLogP30.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.39
LogP ≤ 530.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 157227438?
The IUPAC name of CID 157227438 (CID 157227438) is not available.
What is the SMILES notation for CID 157227438?
The canonical SMILES for CID 157227438 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[H][3H].
What is the InChIKey of CID 157227438?
The InChIKey is ATRXJQZPGLRVCG-TVYSSVBCSA-N. The full InChI is InChI=1S/40CH4.21H2/h40*1H4;21*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*1+2T;1+2.
What are the key properties of CID 157227438?
CID 157227438 has a molecular weight of 766.39 g/mol, XLogP of 30.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157227438 is sourced from PubChem (CID 157227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).