CID 101181300

C10H17ClOZn- — CID 101181300

IUPAC—
SMILESCC/C=[C]/OC1CCCCC1.[Cl-].[Zn]
InChIInChI=1S/C10H17O.ClH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h3,10H,2,4-8H2,1H3;1H;/p-1
InChIKeyQQEQETIJKMPUMX-UHFFFAOYSA-M
MW254.09 g/mol
LogP0.06
Rot. Bonds3

About CID 101181300

CID 101181300 (PubChem CID 101181300) has the molecular formula C10H17ClOZn- and a molecular weight of 254.09 g/mol.

Molecular Properties

Compound NameCID 101181300
PubChem CID101181300
Molecular FormulaC10H17ClOZn-
Molecular Weight254.09 g/mol
Exact Mass252.03
IUPAC Name—
SMILESCC/C=[C]/OC1CCCCC1.[Cl-].[Zn]
InChIInChI=1S/C10H17O.ClH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h3,10H,2,4-8H2,1H3;1H;/p-1
InChIKeyQQEQETIJKMPUMX-UHFFFAOYSA-M
XLogP0.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101181300?
The IUPAC name of CID 101181300 (CID 101181300) is not available.
What is the SMILES notation for CID 101181300?
The canonical SMILES for CID 101181300 is CC/C=[C]/OC1CCCCC1.[Cl-].[Zn].
What is the InChIKey of CID 101181300?
The InChIKey is QQEQETIJKMPUMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17O.ClH.Zn/c1-2-3-9-11-10-7-5-4-6-8-10;;/h3,10H,2,4-8H2,1H3;1H;/p-1.
What are the key properties of CID 101181300?
CID 101181300 has a molecular weight of 254.09 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181300 is sourced from PubChem (CID 101181300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).