CID 10403599

C19H26O4 — CID 10403599

IUPAC—
SMILESO=C1CC2CC(C1)CC1(C2)OOC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H26O4/c20-17-7-13-2-14(8-17)10-18(9-13)21-19(23-22-18)15-3-11-1-12(5-15)6-16(19)4-11/h11-16H,1-10H2
InChIKeyXJRBUNYATORMFQ-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.59
Rot. Bonds

About CID 10403599

CID 10403599 (PubChem CID 10403599) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol.

Molecular Properties

Compound NameCID 10403599
PubChem CID10403599
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name—
SMILESO=C1CC2CC(C1)CC1(C2)OOC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C19H26O4/c20-17-7-13-2-14(8-17)10-18(9-13)21-19(23-22-18)15-3-11-1-12(5-15)6-16(19)4-11/h11-16H,1-10H2
InChIKeyXJRBUNYATORMFQ-UHFFFAOYSA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.59
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 10403599?
The IUPAC name of CID 10403599 (CID 10403599) is not available.
What is the SMILES notation for CID 10403599?
The canonical SMILES for CID 10403599 is O=C1CC2CC(C1)CC1(C2)OOC2(O1)C1CC3CC(C1)CC2C3.
What is the InChIKey of CID 10403599?
The InChIKey is XJRBUNYATORMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c20-17-7-13-2-14(8-17)10-18(9-13)21-19(23-22-18)15-3-11-1-12(5-15)6-16(19)4-11/h11-16H,1-10H2.
What are the key properties of CID 10403599?
CID 10403599 has a molecular weight of 318.41 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10403599 is sourced from PubChem (CID 10403599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).