CID 172777673

C10H14CaO — CID 172777673

IUPAC—
SMILESCC(C)(C)c1ccccc1O.[Ca]
InChIInChI=1S/C10H14O.Ca/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;
InChIKeyNVAQQBYPWUDVRH-UHFFFAOYSA-N
MW190.30 g/mol
LogP2.31
Rot. Bonds

About CID 172777673

CID 172777673 (PubChem CID 172777673) has the molecular formula C10H14CaO and a molecular weight of 190.30 g/mol.

Molecular Properties

Compound NameCID 172777673
PubChem CID172777673
Molecular FormulaC10H14CaO
Molecular Weight190.30 g/mol
Exact Mass190.07
IUPAC Name—
SMILESCC(C)(C)c1ccccc1O.[Ca]
InChIInChI=1S/C10H14O.Ca/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;
InChIKeyNVAQQBYPWUDVRH-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172777673?
The IUPAC name of CID 172777673 (CID 172777673) is not available.
What is the SMILES notation for CID 172777673?
The canonical SMILES for CID 172777673 is CC(C)(C)c1ccccc1O.[Ca].
What is the InChIKey of CID 172777673?
The InChIKey is NVAQQBYPWUDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.Ca/c1-10(2,3)8-6-4-5-7-9(8)11;/h4-7,11H,1-3H3;.
What are the key properties of CID 172777673?
CID 172777673 has a molecular weight of 190.30 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172777673 is sourced from PubChem (CID 172777673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).