CID 163761151

C17H30I- — CID 163761151

IUPAC—
SMILESCCCCC1(C)CCC2(CC1)CCC1(C[I-]C1)C2
InChIInChI=1S/C17H30I/c1-3-4-5-15(2)6-8-16(9-7-15)10-11-17(12-16)13-18-14-17/h3-14H2,1-2H3/q-1
InChIKeyACRPJYBRMDCOQO-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.02
Rot. Bonds3

About CID 163761151

CID 163761151 (PubChem CID 163761151) has the molecular formula C17H30I- and a molecular weight of 361.33 g/mol.

Molecular Properties

Compound NameCID 163761151
PubChem CID163761151
Molecular FormulaC17H30I-
Molecular Weight361.33 g/mol
Exact Mass361.14
IUPAC Name—
SMILESCCCCC1(C)CCC2(CC1)CCC1(C[I-]C1)C2
InChIInChI=1S/C17H30I/c1-3-4-5-15(2)6-8-16(9-7-15)10-11-17(12-16)13-18-14-17/h3-14H2,1-2H3/q-1
InChIKeyACRPJYBRMDCOQO-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163761151?
The IUPAC name of CID 163761151 (CID 163761151) is not available.
What is the SMILES notation for CID 163761151?
The canonical SMILES for CID 163761151 is CCCCC1(C)CCC2(CC1)CCC1(C[I-]C1)C2.
What is the InChIKey of CID 163761151?
The InChIKey is ACRPJYBRMDCOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30I/c1-3-4-5-15(2)6-8-16(9-7-15)10-11-17(12-16)13-18-14-17/h3-14H2,1-2H3/q-1.
What are the key properties of CID 163761151?
CID 163761151 has a molecular weight of 361.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163761151 is sourced from PubChem (CID 163761151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).