CID 58264690

C6H10O2 — CID 58264690

IUPAC—
SMILES[CH]OC(=O)C(C)(C)C
InChIInChI=1S/C6H10O2/c1-6(2,3)5(7)8-4/h4H,1-3H3
InChIKeyHVTOHTVUIIWLRY-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.24
Rot. Bonds

About CID 58264690

CID 58264690 (PubChem CID 58264690) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol.

Molecular Properties

Compound NameCID 58264690
PubChem CID58264690
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name—
SMILES[CH]OC(=O)C(C)(C)C
InChIInChI=1S/C6H10O2/c1-6(2,3)5(7)8-4/h4H,1-3H3
InChIKeyHVTOHTVUIIWLRY-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58264690?
The IUPAC name of CID 58264690 (CID 58264690) is not available.
What is the SMILES notation for CID 58264690?
The canonical SMILES for CID 58264690 is [CH]OC(=O)C(C)(C)C.
What is the InChIKey of CID 58264690?
The InChIKey is HVTOHTVUIIWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2,3)5(7)8-4/h4H,1-3H3.
What are the key properties of CID 58264690?
CID 58264690 has a molecular weight of 114.14 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58264690 is sourced from PubChem (CID 58264690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).