CID 71812475

C16H16O3 — CID 71812475

IUPAC—
SMILESCC(=O)C1(C)OC([C]2[CH][CH][CH][CH]2)OC1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H16O3/c1-11(17)16(2)14(12-7-3-4-8-12)18-15(19-16)13-9-5-6-10-13/h3-10,14-15H,1-2H3
InChIKeyDROPTUGWMTXJRT-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.89
Rot. Bonds3

About CID 71812475

CID 71812475 (PubChem CID 71812475) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol.

Molecular Properties

Compound NameCID 71812475
PubChem CID71812475
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name—
SMILESCC(=O)C1(C)OC([C]2[CH][CH][CH][CH]2)OC1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H16O3/c1-11(17)16(2)14(12-7-3-4-8-12)18-15(19-16)13-9-5-6-10-13/h3-10,14-15H,1-2H3
InChIKeyDROPTUGWMTXJRT-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 71812475?
The IUPAC name of CID 71812475 (CID 71812475) is not available.
What is the SMILES notation for CID 71812475?
The canonical SMILES for CID 71812475 is CC(=O)C1(C)OC([C]2[CH][CH][CH][CH]2)OC1[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 71812475?
The InChIKey is DROPTUGWMTXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(17)16(2)14(12-7-3-4-8-12)18-15(19-16)13-9-5-6-10-13/h3-10,14-15H,1-2H3.
What are the key properties of CID 71812475?
CID 71812475 has a molecular weight of 256.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71812475 is sourced from PubChem (CID 71812475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).