[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol

C15H28O3 — CID 101205699

IUPAC[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol
SMILESC[C@@H]1C[C@H](C)CC2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1
InChIInChI=1S/C15H28O3/c1-10-5-11(2)8-15(14(6-10)9-16)17-12(3)7-13(4)18-15/h10-14,16H,5-9H2,1-4H3/t10-,11+,12-,13+,14-,15?/m1/s1
InChIKeyFHCZCJNOLUMAEX-WQFUOLRDSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds1

About [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol

[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol (PubChem CID 101205699) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol
PubChem CID101205699
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol
SMILESC[C@@H]1C[C@H](C)CC2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1
InChIInChI=1S/C15H28O3/c1-10-5-11(2)8-15(14(6-10)9-16)17-12(3)7-13(4)18-15/h10-14,16H,5-9H2,1-4H3/t10-,11+,12-,13+,14-,15?/m1/s1
InChIKeyFHCZCJNOLUMAEX-WQFUOLRDSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol?
The IUPAC name of [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol (CID 101205699) is [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol.
What is the SMILES notation for [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol?
The canonical SMILES for [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol is C[C@@H]1C[C@H](C)CC2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1.
What is the InChIKey of [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol?
The InChIKey is FHCZCJNOLUMAEX-WQFUOLRDSA-N. The full InChI is InChI=1S/C15H28O3/c1-10-5-11(2)8-15(14(6-10)9-16)17-12(3)7-13(4)18-15/h10-14,16H,5-9H2,1-4H3/t10-,11+,12-,13+,14-,15?/m1/s1.
What are the key properties of [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol?
[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol is sourced from PubChem (CID 101205699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).