CID 58276112

C16H24O2 — CID 58276112

IUPAC—
SMILES[CH]C(C)=CCC1=C(C)C(C)C(OC)=C(OC)C1C
InChIInChI=1S/C16H24O2/c1-10(2)8-9-14-11(3)12(4)15(17-6)16(18-7)13(14)5/h1,8,12-13H,9H2,2-7H3
InChIKeyVOAUQEOLZGYBCT-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.14
Rot. Bonds4

About CID 58276112

CID 58276112 (PubChem CID 58276112) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol.

Molecular Properties

Compound NameCID 58276112
PubChem CID58276112
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name—
SMILES[CH]C(C)=CCC1=C(C)C(C)C(OC)=C(OC)C1C
InChIInChI=1S/C16H24O2/c1-10(2)8-9-14-11(3)12(4)15(17-6)16(18-7)13(14)5/h1,8,12-13H,9H2,2-7H3
InChIKeyVOAUQEOLZGYBCT-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58276112?
The IUPAC name of CID 58276112 (CID 58276112) is not available.
What is the SMILES notation for CID 58276112?
The canonical SMILES for CID 58276112 is [CH]C(C)=CCC1=C(C)C(C)C(OC)=C(OC)C1C.
What is the InChIKey of CID 58276112?
The InChIKey is VOAUQEOLZGYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)8-9-14-11(3)12(4)15(17-6)16(18-7)13(14)5/h1,8,12-13H,9H2,2-7H3.
What are the key properties of CID 58276112?
CID 58276112 has a molecular weight of 248.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58276112 is sourced from PubChem (CID 58276112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).