CID 11231734

C11H11O2 — CID 11231734

IUPAC—
SMILESC/C=C/[C@H]1O[C@@H]1C(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C11H11O2/c1-2-5-9-11(13-9)10(12)8-6-3-4-7-8/h2-7,9,11H,1H3/b5-2+/t9-,11+/m1/s1
InChIKeyXSWTVTLXLSOBTL-HJPQZWGKSA-N
MW175.21 g/mol
LogP1.30
Rot. Bonds3

About CID 11231734

CID 11231734 (PubChem CID 11231734) has the molecular formula C11H11O2 and a molecular weight of 175.21 g/mol.

Molecular Properties

Compound NameCID 11231734
PubChem CID11231734
Molecular FormulaC11H11O2
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name—
SMILESC/C=C/[C@H]1O[C@@H]1C(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C11H11O2/c1-2-5-9-11(13-9)10(12)8-6-3-4-7-8/h2-7,9,11H,1H3/b5-2+/t9-,11+/m1/s1
InChIKeyXSWTVTLXLSOBTL-HJPQZWGKSA-N
XLogP1.30
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11231734?
The IUPAC name of CID 11231734 (CID 11231734) is not available.
What is the SMILES notation for CID 11231734?
The canonical SMILES for CID 11231734 is C/C=C/[C@H]1O[C@@H]1C(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11231734?
The InChIKey is XSWTVTLXLSOBTL-HJPQZWGKSA-N. The full InChI is InChI=1S/C11H11O2/c1-2-5-9-11(13-9)10(12)8-6-3-4-7-8/h2-7,9,11H,1H3/b5-2+/t9-,11+/m1/s1.
What are the key properties of CID 11231734?
CID 11231734 has a molecular weight of 175.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11231734 is sourced from PubChem (CID 11231734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).