CID 134888913

C11H18O2W- — CID 134888913

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[W]=O.[CH3-]
InChIInChI=1S/C10H15.CH3.2O.W/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;1H3;;;/q;-1;;;
InChIKeyZXSSAUAGSLSECE-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.48
Rot. Bonds

About CID 134888913

CID 134888913 (PubChem CID 134888913) has the molecular formula C11H18O2W- and a molecular weight of 366.10 g/mol.

Molecular Properties

Compound NameCID 134888913
PubChem CID134888913
Molecular FormulaC11H18O2W-
Molecular Weight366.10 g/mol
Exact Mass366.08
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.O=[W]=O.[CH3-]
InChIInChI=1S/C10H15.CH3.2O.W/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;1H3;;;/q;-1;;;
InChIKeyZXSSAUAGSLSECE-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134888913?
The IUPAC name of CID 134888913 (CID 134888913) is not available.
What is the SMILES notation for CID 134888913?
The canonical SMILES for CID 134888913 is C[C]1C(C)=C(C)C(C)=C1C.O=[W]=O.[CH3-].
What is the InChIKey of CID 134888913?
The InChIKey is ZXSSAUAGSLSECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.CH3.2O.W/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;1H3;;;/q;-1;;;.
What are the key properties of CID 134888913?
CID 134888913 has a molecular weight of 366.10 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888913 is sourced from PubChem (CID 134888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).