CID 10903578

C21H28O3 — CID 10903578

IUPAC—
SMILESO=C1C2(CCCCC2)C2=C(C=CC2)C2(OCCO2)C12CCCCC2
InChIInChI=1S/C21H28O3/c22-18-19(10-3-1-4-11-19)16-8-7-9-17(16)21(23-14-15-24-21)20(18)12-5-2-6-13-20/h7,9H,1-6,8,10-15H2
InChIKeyUQNJWADMRZNUST-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.47
Rot. Bonds

About CID 10903578

CID 10903578 (PubChem CID 10903578) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol.

Molecular Properties

Compound NameCID 10903578
PubChem CID10903578
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name—
SMILESO=C1C2(CCCCC2)C2=C(C=CC2)C2(OCCO2)C12CCCCC2
InChIInChI=1S/C21H28O3/c22-18-19(10-3-1-4-11-19)16-8-7-9-17(16)21(23-14-15-24-21)20(18)12-5-2-6-13-20/h7,9H,1-6,8,10-15H2
InChIKeyUQNJWADMRZNUST-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10903578?
The IUPAC name of CID 10903578 (CID 10903578) is not available.
What is the SMILES notation for CID 10903578?
The canonical SMILES for CID 10903578 is O=C1C2(CCCCC2)C2=C(C=CC2)C2(OCCO2)C12CCCCC2.
What is the InChIKey of CID 10903578?
The InChIKey is UQNJWADMRZNUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3/c22-18-19(10-3-1-4-11-19)16-8-7-9-17(16)21(23-14-15-24-21)20(18)12-5-2-6-13-20/h7,9H,1-6,8,10-15H2.
What are the key properties of CID 10903578?
CID 10903578 has a molecular weight of 328.45 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10903578 is sourced from PubChem (CID 10903578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).