CID 24987747

C19H30O4 — CID 24987747

IUPAC—
SMILESOCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H30O4/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17,20H,1-12H2
InChIKeyTWIQYMRCXHWIGA-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.78
Rot. Bonds3

About CID 24987747

CID 24987747 (PubChem CID 24987747) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol.

Molecular Properties

Compound NameCID 24987747
PubChem CID24987747
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name—
SMILESOCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H30O4/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17,20H,1-12H2
InChIKeyTWIQYMRCXHWIGA-UHFFFAOYSA-N
XLogP3.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.78
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 24987747?
The IUPAC name of CID 24987747 (CID 24987747) is not available.
What is the SMILES notation for CID 24987747?
The canonical SMILES for CID 24987747 is OCCCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 24987747?
The InChIKey is TWIQYMRCXHWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c20-7-1-2-13-3-5-18(6-4-13)21-19(23-22-18)16-9-14-8-15(11-16)12-17(19)10-14/h13-17,20H,1-12H2.
What are the key properties of CID 24987747?
CID 24987747 has a molecular weight of 322.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987747 is sourced from PubChem (CID 24987747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).