CID 175757661

C15H24Ca — CID 175757661

IUPAC—
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1.[Ca]
InChIInChI=1S/C15H24.Ca/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h7-12H,1-6H3;
InChIKeyCXFWZDXKHRAASF-UHFFFAOYSA-N
MW244.43 g/mol
LogP4.68
Rot. Bonds3

About CID 175757661

CID 175757661 (PubChem CID 175757661) has the molecular formula C15H24Ca and a molecular weight of 244.43 g/mol.

Molecular Properties

Compound NameCID 175757661
PubChem CID175757661
Molecular FormulaC15H24Ca
Molecular Weight244.43 g/mol
Exact Mass244.15
IUPAC Name—
SMILESCC(C)c1cc(C(C)C)cc(C(C)C)c1.[Ca]
InChIInChI=1S/C15H24.Ca/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h7-12H,1-6H3;
InChIKeyCXFWZDXKHRAASF-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 175757661?
The IUPAC name of CID 175757661 (CID 175757661) is not available.
What is the SMILES notation for CID 175757661?
The canonical SMILES for CID 175757661 is CC(C)c1cc(C(C)C)cc(C(C)C)c1.[Ca].
What is the InChIKey of CID 175757661?
The InChIKey is CXFWZDXKHRAASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.Ca/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;/h7-12H,1-6H3;.
What are the key properties of CID 175757661?
CID 175757661 has a molecular weight of 244.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175757661 is sourced from PubChem (CID 175757661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).