FKPLZJCSXGKJNK-RITPCOANSA-N

C₇H₁₆O₂ — CID 13427557

About FKPLZJCSXGKJNK-RITPCOANSA-N

FKPLZJCSXGKJNK-RITPCOANSA-N (PubChem CID 13427557) has the molecular formula C₇H₁₆O₂ and a molecular weight of 132.20 g/mol. Its IUPAC name is (2R,3R)-4,4-dimethylpentane-2,3-diol.

Molecular Properties

• Compound Name: FKPLZJCSXGKJNK-RITPCOANSA-N
• PubChem CID: 13427557
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 132.20 g/mol
• Exact Mass: 132.12
• IUPAC Name: (2R,3R)-4,4-dimethylpentane-2,3-diol
• SMILES: C[C@@H](O)[C@H](O)C(C)(C)C
• InChI: InChI=1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6+/m1/s1
• InChIKey: FKPLZJCSXGKJNK-RITPCOANSA-N
• XLogP: 0.77
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	132.20
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of FKPLZJCSXGKJNK-RITPCOANSA-N?

The IUPAC name of FKPLZJCSXGKJNK-RITPCOANSA-N (CID 13427557) is (2R,3R)-4,4-dimethylpentane-2,3-diol.

What is the SMILES notation for FKPLZJCSXGKJNK-RITPCOANSA-N?

The canonical SMILES for FKPLZJCSXGKJNK-RITPCOANSA-N is C[C@@H](O)[C@H](O)C(C)(C)C.

What is the InChIKey of FKPLZJCSXGKJNK-RITPCOANSA-N?

The InChIKey is FKPLZJCSXGKJNK-RITPCOANSA-N. The full InChI is InChI=1S/C7H16O2/c1-5(8)6(9)7(2,3)4/h5-6,8-9H,1-4H3/t5-,6+/m1/s1.

What are the key properties of FKPLZJCSXGKJNK-RITPCOANSA-N?

FKPLZJCSXGKJNK-RITPCOANSA-N has a molecular weight of 132.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for FKPLZJCSXGKJNK-RITPCOANSA-N is sourced from PubChem (CID 13427557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13427557 — identifiers, structure, computed properties (public domain)

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