CID 175877016

C10H18Ca — CID 175877016

IUPAC—
SMILESC1CCC2CCCCC2C1.[Ca]
InChIInChI=1S/C10H18.Ca/c1-2-6-10-8-4-3-7-9(10)5-1;/h9-10H,1-8H2;
InChIKeyZTRQJUAHMZGVCK-UHFFFAOYSA-N
MW178.33 g/mol
LogP2.99
Rot. Bonds

About CID 175877016

CID 175877016 (PubChem CID 175877016) has the molecular formula C10H18Ca and a molecular weight of 178.33 g/mol.

Molecular Properties

Compound NameCID 175877016
PubChem CID175877016
Molecular FormulaC10H18Ca
Molecular Weight178.33 g/mol
Exact Mass178.10
IUPAC Name—
SMILESC1CCC2CCCCC2C1.[Ca]
InChIInChI=1S/C10H18.Ca/c1-2-6-10-8-4-3-7-9(10)5-1;/h9-10H,1-8H2;
InChIKeyZTRQJUAHMZGVCK-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 175877016?
The IUPAC name of CID 175877016 (CID 175877016) is not available.
What is the SMILES notation for CID 175877016?
The canonical SMILES for CID 175877016 is C1CCC2CCCCC2C1.[Ca].
What is the InChIKey of CID 175877016?
The InChIKey is ZTRQJUAHMZGVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.Ca/c1-2-6-10-8-4-3-7-9(10)5-1;/h9-10H,1-8H2;.
What are the key properties of CID 175877016?
CID 175877016 has a molecular weight of 178.33 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175877016 is sourced from PubChem (CID 175877016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).