CID 143649805

C18H30O4 — CID 143649805

IUPAC—
SMILESCC1CCC2(CC1)OOC1(OO2)C(C)CC2CC(C)CC1C2
InChIInChI=1S/C18H30O4/c1-12-4-6-17(7-5-12)19-21-18(22-20-17)14(3)10-15-8-13(2)9-16(18)11-15/h12-16H,4-11H2,1-3H3
InChIKeyYCSOXIAJDCBCME-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.59
Rot. Bonds

About CID 143649805

CID 143649805 (PubChem CID 143649805) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol.

Molecular Properties

Compound NameCID 143649805
PubChem CID143649805
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name—
SMILESCC1CCC2(CC1)OOC1(OO2)C(C)CC2CC(C)CC1C2
InChIInChI=1S/C18H30O4/c1-12-4-6-17(7-5-12)19-21-18(22-20-17)14(3)10-15-8-13(2)9-16(18)11-15/h12-16H,4-11H2,1-3H3
InChIKeyYCSOXIAJDCBCME-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.59
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 143649805?
The IUPAC name of CID 143649805 (CID 143649805) is not available.
What is the SMILES notation for CID 143649805?
The canonical SMILES for CID 143649805 is CC1CCC2(CC1)OOC1(OO2)C(C)CC2CC(C)CC1C2.
What is the InChIKey of CID 143649805?
The InChIKey is YCSOXIAJDCBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-12-4-6-17(7-5-12)19-21-18(22-20-17)14(3)10-15-8-13(2)9-16(18)11-15/h12-16H,4-11H2,1-3H3.
What are the key properties of CID 143649805?
CID 143649805 has a molecular weight of 310.43 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143649805 is sourced from PubChem (CID 143649805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).