CID 118320456

C16H26O5 — CID 118320456

IUPAC—
SMILESCC1CC2CCCC(C2)C12OOC1(C[C@H](O)C[C@H](O)C1)O2
InChIInChI=1S/C16H26O5/c1-10-5-11-3-2-4-12(6-11)16(10)19-15(20-21-16)8-13(17)7-14(18)9-15/h10-14,17-18H,2-9H2,1H3/t10?,11?,12?,13-,14+,15?,16?
InChIKeyFWBWOVMTNGDQJM-AUJHISINSA-N
MW298.38 g/mol
LogP2.11
Rot. Bonds

About CID 118320456

CID 118320456 (PubChem CID 118320456) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol.

Molecular Properties

Compound NameCID 118320456
PubChem CID118320456
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name—
SMILESCC1CC2CCCC(C2)C12OOC1(C[C@H](O)C[C@H](O)C1)O2
InChIInChI=1S/C16H26O5/c1-10-5-11-3-2-4-12(6-11)16(10)19-15(20-21-16)8-13(17)7-14(18)9-15/h10-14,17-18H,2-9H2,1H3/t10?,11?,12?,13-,14+,15?,16?
InChIKeyFWBWOVMTNGDQJM-AUJHISINSA-N
XLogP2.11
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 118320456?
The IUPAC name of CID 118320456 (CID 118320456) is not available.
What is the SMILES notation for CID 118320456?
The canonical SMILES for CID 118320456 is CC1CC2CCCC(C2)C12OOC1(C[C@H](O)C[C@H](O)C1)O2.
What is the InChIKey of CID 118320456?
The InChIKey is FWBWOVMTNGDQJM-AUJHISINSA-N. The full InChI is InChI=1S/C16H26O5/c1-10-5-11-3-2-4-12(6-11)16(10)19-15(20-21-16)8-13(17)7-14(18)9-15/h10-14,17-18H,2-9H2,1H3/t10?,11?,12?,13-,14+,15?,16?.
What are the key properties of CID 118320456?
CID 118320456 has a molecular weight of 298.38 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118320456 is sourced from PubChem (CID 118320456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).