CID 59268984

C11H18O2 — CID 59268984

IUPAC—
SMILES[CH]C(CC)C1COC(C)(C=C)OC1
InChIInChI=1S/C11H18O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h3,6,9-10H,2,5,7-8H2,1,4H3
InChIKeyNDTZJYCAGGFDIO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.29
Rot. Bonds3

About CID 59268984

CID 59268984 (PubChem CID 59268984) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol.

Molecular Properties

Compound NameCID 59268984
PubChem CID59268984
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name—
SMILES[CH]C(CC)C1COC(C)(C=C)OC1
InChIInChI=1S/C11H18O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h3,6,9-10H,2,5,7-8H2,1,4H3
InChIKeyNDTZJYCAGGFDIO-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.29
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 59268984?
The IUPAC name of CID 59268984 (CID 59268984) is not available.
What is the SMILES notation for CID 59268984?
The canonical SMILES for CID 59268984 is [CH]C(CC)C1COC(C)(C=C)OC1.
What is the InChIKey of CID 59268984?
The InChIKey is NDTZJYCAGGFDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-9(3)10-7-12-11(4,6-2)13-8-10/h3,6,9-10H,2,5,7-8H2,1,4H3.
What are the key properties of CID 59268984?
CID 59268984 has a molecular weight of 182.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59268984 is sourced from PubChem (CID 59268984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).