CID 101056745

C6H12Cl — CID 101056745

IUPAC—
SMILESC[C](C)CCCCl
InChIInChI=1S/C6H12Cl/c1-6(2)4-3-5-7/h3-5H2,1-2H3
InChIKeyFUKORRVLPNBLKH-UHFFFAOYSA-N
MW119.61 g/mol
LogP2.62
Rot. Bonds3

About CID 101056745

CID 101056745 (PubChem CID 101056745) has the molecular formula C6H12Cl and a molecular weight of 119.61 g/mol.

Molecular Properties

Compound NameCID 101056745
PubChem CID101056745
Molecular FormulaC6H12Cl
Molecular Weight119.61 g/mol
Exact Mass119.06
IUPAC Name—
SMILESC[C](C)CCCCl
InChIInChI=1S/C6H12Cl/c1-6(2)4-3-5-7/h3-5H2,1-2H3
InChIKeyFUKORRVLPNBLKH-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101056745?
The IUPAC name of CID 101056745 (CID 101056745) is not available.
What is the SMILES notation for CID 101056745?
The canonical SMILES for CID 101056745 is C[C](C)CCCCl.
What is the InChIKey of CID 101056745?
The InChIKey is FUKORRVLPNBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl/c1-6(2)4-3-5-7/h3-5H2,1-2H3.
What are the key properties of CID 101056745?
CID 101056745 has a molecular weight of 119.61 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101056745 is sourced from PubChem (CID 101056745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).