CID 5485152

C6H13 — CID 5485152

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

About CID 5485152

CID 5485152 (PubChem CID 5485152) has the molecular formula C6H13 and a molecular weight of 85.17 g/mol.

Molecular Properties

Compound NameCID 5485152
PubChem CID5485152
Molecular FormulaC6H13
Molecular Weight85.17 g/mol
Exact Mass85.10
IUPAC Name—
SMILES[CH2]C(C)CCC
InChIInChI=1S/C6H13/c1-4-5-6(2)3/h6H,2,4-5H2,1,3H3
InChIKeyGZCQSXOJFMZOJF-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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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-methylpentane
CID 7892
(3R)-3,4-dimethylheptane
CID 59819300
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
4-methylheptane;propane
CID 142171269
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
pentan-2-ylphosphane
CID 22981481
(2R)-pentan-2-ol
CID 7014876
2-methylpentane;titanium(4+);tetrachloride
CID 158147790

Frequently Asked Questions

What is the IUPAC name of CID 5485152?
The IUPAC name of CID 5485152 (CID 5485152) is not available.
What is the SMILES notation for CID 5485152?
The canonical SMILES for CID 5485152 is [CH2]C(C)CCC.
What is the InChIKey of CID 5485152?
The InChIKey is GZCQSXOJFMZOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13/c1-4-5-6(2)3/h6H,2,4-5H2,1,3H3.
What are the key properties of CID 5485152?
CID 5485152 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 5485152 is sourced from PubChem (CID 5485152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).