(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one

C15H24O6 — CID 101052108

IUPAC(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
SMILESC[C@H](O)[C@]1(C)OC2(CCCCO2)C2(CCCCO2)OC1=O
InChIInChI=1S/C15H24O6/c1-11(16)13(2)12(17)20-14(7-3-5-9-18-14)15(21-13)8-4-6-10-19-15/h11,16H,3-10H2,1-2H3/t11-,13-,14?,15?/m0/s1
InChIKeyXPLWXRKANILIMV-UJHNXHIOSA-N
MW300.35 g/mol
LogP1.49
Rot. Bonds1

About (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one

(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one (PubChem CID 101052108) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one.

Molecular Properties

Compound Name(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
PubChem CID101052108
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
SMILESC[C@H](O)[C@]1(C)OC2(CCCCO2)C2(CCCCO2)OC1=O
InChIInChI=1S/C15H24O6/c1-11(16)13(2)12(17)20-14(7-3-5-9-18-14)15(21-13)8-4-6-10-19-15/h11,16H,3-10H2,1-2H3/t11-,13-,14?,15?/m0/s1
InChIKeyXPLWXRKANILIMV-UJHNXHIOSA-N
XLogP1.49
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R,7R,14S)-14-[hydroxy(phenyl)methyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one
CID 67798629
diethyl (2S)-2-[(6S,7S,14R)-14-methyl-15-oxo-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-yl]butanedioate
CID 102356847
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
(6R,7R,15R)-15-[(R)-hydroxy(phenyl)methyl]-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-14-one
CID 10712713
3,3,4,4-tetramethyl-oxacyclopentadecan-2-one
CID 150459671
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
CID 72760492
3,3-dimethyl-1-oxaspiro[3.6]decan-2-one
CID 14540537
N-(3-methyl-2-oxooxan-3-yl)acetamide
CID 54276276
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468

Frequently Asked Questions

What is the IUPAC name of (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one?
The IUPAC name of (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one (CID 101052108) is (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one.
What is the SMILES notation for (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one?
The canonical SMILES for (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one is C[C@H](O)[C@]1(C)OC2(CCCCO2)C2(CCCCO2)OC1=O.
What is the InChIKey of (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one?
The InChIKey is XPLWXRKANILIMV-UJHNXHIOSA-N. The full InChI is InChI=1S/C15H24O6/c1-11(16)13(2)12(17)20-14(7-3-5-9-18-14)15(21-13)8-4-6-10-19-15/h11,16H,3-10H2,1-2H3/t11-,13-,14?,15?/m0/s1.
What are the key properties of (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one?
(14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one has a molecular weight of 300.35 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-14-[(1S)-1-hydroxyethyl]-14-methyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-15-one is sourced from PubChem (CID 101052108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).