CID 118320491

C16H24O4 — CID 118320491

IUPAC—
SMILESOC1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2/t10?,11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyHWCZJJWHPDTSEL-MHDKPIHVSA-N
MW280.36 g/mol
LogP2.75
Rot. Bonds

About CID 118320491

CID 118320491 (PubChem CID 118320491) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol.

Molecular Properties

Compound NameCID 118320491
PubChem CID118320491
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name—
SMILESOC1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2/t10?,11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyHWCZJJWHPDTSEL-MHDKPIHVSA-N
XLogP2.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 118320491?
The IUPAC name of CID 118320491 (CID 118320491) is not available.
What is the SMILES notation for CID 118320491?
The canonical SMILES for CID 118320491 is OC1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 118320491?
The InChIKey is HWCZJJWHPDTSEL-MHDKPIHVSA-N. The full InChI is InChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2/t10?,11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of CID 118320491?
CID 118320491 has a molecular weight of 280.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118320491 is sourced from PubChem (CID 118320491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).