CID 5464552

C6H13 — CID 5464552

IUPAC—
SMILES[CH2]CCC(C)C
InChIInChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3
InChIKeyCCIHKGBEUNXZHW-UHFFFAOYSA-N
MW85.17 g/mol
LogP2.26
Rot. Bonds2

About CID 5464552

CID 5464552 (PubChem CID 5464552) has the molecular formula C6H13 and a molecular weight of 85.17 g/mol.

Molecular Properties

Compound NameCID 5464552
PubChem CID5464552
Molecular FormulaC6H13
Molecular Weight85.17 g/mol
Exact Mass85.10
IUPAC Name—
SMILES[CH2]CCC(C)C
InChIInChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3
InChIKeyCCIHKGBEUNXZHW-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5464552?
The IUPAC name of CID 5464552 (CID 5464552) is not available.
What is the SMILES notation for CID 5464552?
The canonical SMILES for CID 5464552 is [CH2]CCC(C)C.
What is the InChIKey of CID 5464552?
The InChIKey is CCIHKGBEUNXZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3.
What are the key properties of CID 5464552?
CID 5464552 has a molecular weight of 85.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5464552 is sourced from PubChem (CID 5464552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).