(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione

C16H24O3 — CID 139254970

IUPAC(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione
SMILESO=C1CCC[C@@]2(CC3(CCCCCC3)CC2=O)[C@@H]1O
InChIInChI=1S/C16H24O3/c17-12-6-5-9-16(14(12)19)11-15(10-13(16)18)7-3-1-2-4-8-15/h14,19H,1-11H2/t14-,16+/m1/s1
InChIKeyUPSHRFKKMIHKBI-ZBFHGGJFSA-N
MW264.36 g/mol
LogP2.79
Rot. Bonds

About (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione

(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione (PubChem CID 139254970) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione.

Molecular Properties

Compound Name(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione
PubChem CID139254970
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione
SMILESO=C1CCC[C@@]2(CC3(CCCCCC3)CC2=O)[C@@H]1O
InChIInChI=1S/C16H24O3/c17-12-6-5-9-16(14(12)19)11-15(10-13(16)18)7-3-1-2-4-8-15/h14,19H,1-11H2/t14-,16+/m1/s1
InChIKeyUPSHRFKKMIHKBI-ZBFHGGJFSA-N
XLogP2.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione?
The IUPAC name of (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione (CID 139254970) is (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione.
What is the SMILES notation for (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione?
The canonical SMILES for (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione is O=C1CCC[C@@]2(CC3(CCCCCC3)CC2=O)[C@@H]1O.
What is the InChIKey of (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione?
The InChIKey is UPSHRFKKMIHKBI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H24O3/c17-12-6-5-9-16(14(12)19)11-15(10-13(16)18)7-3-1-2-4-8-15/h14,19H,1-11H2/t14-,16+/m1/s1.
What are the key properties of (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione?
(1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione has a molecular weight of 264.36 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1-hydroxydispiro[5.1.68.26]hexadecane-2,16-dione is sourced from PubChem (CID 139254970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).