C19H28O3 — CID 171369652

IUPAC—
SMILESCC[C@H]1CCCC=CC=CCCOC(=O)C=CC=CC[C@H]1O
InChIInChI=1S/C19H28O3/c1-2-17-13-9-6-4-3-5-7-12-16-22-19(21)15-11-8-10-14-18(17)20/h3-5,7-8,10-11,15,17-18,20H,2,6,9,12-14,16H2,1H3/t17-,18+/m0/s1
InChIKeyMVWPPXFSBPCTHW-ZWKOTPCHSA-N
MW304.43 g/mol
LogP4.11
Rot. Bonds1

About

(PubChem CID 171369652) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol.

Molecular Properties

Compound Name
PubChem CID171369652
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name—
SMILESCC[C@H]1CCCC=CC=CCCOC(=O)C=CC=CC[C@H]1O
InChIInChI=1S/C19H28O3/c1-2-17-13-9-6-4-3-5-7-12-16-22-19(21)15-11-8-10-14-18(17)20/h3-5,7-8,10-11,15,17-18,20H,2,6,9,12-14,16H2,1H3/t17-,18+/m0/s1
InChIKeyMVWPPXFSBPCTHW-ZWKOTPCHSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171369652) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC[C@H]1CCCC=CC=CCCOC(=O)C=CC=CC[C@H]1O.
What is the InChIKey of ?
The InChIKey is MVWPPXFSBPCTHW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28O3/c1-2-17-13-9-6-4-3-5-7-12-16-22-19(21)15-11-8-10-14-18(17)20/h3-5,7-8,10-11,15,17-18,20H,2,6,9,12-14,16H2,1H3/t17-,18+/m0/s1.
What are the key properties of ?
has a molecular weight of 304.43 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171369652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).