CID 155178473

C17H28O4 — CID 155178473

IUPAC—
SMILESCOC1CCC[C@]2(C1)OO[C@]1(O2)C(C)CC2CCC[C@H]1C2
InChIInChI=1S/C17H28O4/c1-12-9-13-5-3-6-14(10-13)17(12)19-16(20-21-17)8-4-7-15(11-16)18-2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?,16+,17+/m0/s1
InChIKeyQCLODSHSTPVEHE-ZZYBWQGGSA-N
MW296.41 g/mol
LogP3.79
Rot. Bonds1

About CID 155178473

CID 155178473 (PubChem CID 155178473) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol.

Molecular Properties

Compound NameCID 155178473
PubChem CID155178473
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name—
SMILESCOC1CCC[C@]2(C1)OO[C@]1(O2)C(C)CC2CCC[C@H]1C2
InChIInChI=1S/C17H28O4/c1-12-9-13-5-3-6-14(10-13)17(12)19-16(20-21-17)8-4-7-15(11-16)18-2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?,16+,17+/m0/s1
InChIKeyQCLODSHSTPVEHE-ZZYBWQGGSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155178473?
The IUPAC name of CID 155178473 (CID 155178473) is not available.
What is the SMILES notation for CID 155178473?
The canonical SMILES for CID 155178473 is COC1CCC[C@]2(C1)OO[C@]1(O2)C(C)CC2CCC[C@H]1C2.
What is the InChIKey of CID 155178473?
The InChIKey is QCLODSHSTPVEHE-ZZYBWQGGSA-N. The full InChI is InChI=1S/C17H28O4/c1-12-9-13-5-3-6-14(10-13)17(12)19-16(20-21-17)8-4-7-15(11-16)18-2/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?,16+,17+/m0/s1.
What are the key properties of CID 155178473?
CID 155178473 has a molecular weight of 296.41 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155178473 is sourced from PubChem (CID 155178473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).