CID 142199623

C19H32O4 — CID 142199623

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(CCC(CCO)CC4)O3)C(C1)C2
InChIInChI=1S/C19H32O4/c1-13-9-16-11-14(2)19(17(10-13)12-16)21-18(22-23-19)6-3-15(4-7-18)5-8-20/h13-17,20H,3-12H2,1-2H3
InChIKeyKZVJLHGMWNFSGJ-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.02
Rot. Bonds2

About CID 142199623

CID 142199623 (PubChem CID 142199623) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol.

Molecular Properties

Compound NameCID 142199623
PubChem CID142199623
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(CCC(CCO)CC4)O3)C(C1)C2
InChIInChI=1S/C19H32O4/c1-13-9-16-11-14(2)19(17(10-13)12-16)21-18(22-23-19)6-3-15(4-7-18)5-8-20/h13-17,20H,3-12H2,1-2H3
InChIKeyKZVJLHGMWNFSGJ-UHFFFAOYSA-N
XLogP4.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.02
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 142199623?
The IUPAC name of CID 142199623 (CID 142199623) is not available.
What is the SMILES notation for CID 142199623?
The canonical SMILES for CID 142199623 is CC1CC2CC(C)C3(OOC4(CCC(CCO)CC4)O3)C(C1)C2.
What is the InChIKey of CID 142199623?
The InChIKey is KZVJLHGMWNFSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-13-9-16-11-14(2)19(17(10-13)12-16)21-18(22-23-19)6-3-15(4-7-18)5-8-20/h13-17,20H,3-12H2,1-2H3.
What are the key properties of CID 142199623?
CID 142199623 has a molecular weight of 324.46 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142199623 is sourced from PubChem (CID 142199623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).