CID 155349004

C18H30O4 — CID 155349004

IUPAC—
SMILESCC1CC2CC(C)C3(OOC4(CCC(CO)CC4)O3)C(C1)C2
InChIInChI=1S/C18H30O4/c1-12-7-15-9-13(2)18(16(8-12)10-15)20-17(21-22-18)5-3-14(11-19)4-6-17/h12-16,19H,3-11H2,1-2H3
InChIKeyWWOHGOZJNDUWRC-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.63
Rot. Bonds1

About CID 155349004

CID 155349004 (PubChem CID 155349004) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol.

Molecular Properties

Compound NameCID 155349004
PubChem CID155349004
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name—
SMILESCC1CC2CC(C)C3(OOC4(CCC(CO)CC4)O3)C(C1)C2
InChIInChI=1S/C18H30O4/c1-12-7-15-9-13(2)18(16(8-12)10-15)20-17(21-22-18)5-3-14(11-19)4-6-17/h12-16,19H,3-11H2,1-2H3
InChIKeyWWOHGOZJNDUWRC-UHFFFAOYSA-N
XLogP3.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.63
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 155349004?
The IUPAC name of CID 155349004 (CID 155349004) is not available.
What is the SMILES notation for CID 155349004?
The canonical SMILES for CID 155349004 is CC1CC2CC(C)C3(OOC4(CCC(CO)CC4)O3)C(C1)C2.
What is the InChIKey of CID 155349004?
The InChIKey is WWOHGOZJNDUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-12-7-15-9-13(2)18(16(8-12)10-15)20-17(21-22-18)5-3-14(11-19)4-6-17/h12-16,19H,3-11H2,1-2H3.
What are the key properties of CID 155349004?
CID 155349004 has a molecular weight of 310.43 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155349004 is sourced from PubChem (CID 155349004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).