(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol

C15H28O4 — CID 101366335

IUPAC(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol
SMILESCC1CC(C)[C@H](O)C2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1
InChIInChI=1S/C15H28O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h9-14,16-17H,5-8H2,1-4H3/t9?,10?,11-,12+,13-,14+,15?/m1/s1
InChIKeyQPDZAUHCXBHPHI-XRDQNADYSA-N
MW272.38 g/mol
LogP1.93
Rot. Bonds1

About (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol

(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol (PubChem CID 101366335) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol.

Molecular Properties

Compound Name(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol
PubChem CID101366335
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol
SMILESCC1CC(C)[C@H](O)C2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1
InChIInChI=1S/C15H28O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h9-14,16-17H,5-8H2,1-4H3/t9?,10?,11-,12+,13-,14+,15?/m1/s1
InChIKeyQPDZAUHCXBHPHI-XRDQNADYSA-N
XLogP1.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol with MolForge

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Related Compounds

[(2R,4S,7R,9R,11S)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-yl]methanol
CID 101205699
[(2S,4R,7R,8R,10S,12R)-7-acetyloxy-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-12-yl]methyl acetate
CID 101205703
(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol
CID 101183099
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
2-hydroxy-7-(hydroxymethyl)-3,5-dimethylcycloheptan-1-one
CID 130149053
(2S,3R,5S,7R)-2-hydroxy-7-(hydroxymethyl)-3,5-dimethylcycloheptan-1-one
CID 102074323
(1'S,3'R,4R,6R,6'R)-4,6-dimethylspiro[1,3-dioxane-2,2'-bicyclo[4.1.0]heptane]-3'-ol
CID 101142881
(7-methyl-3-oxabicyclo[3.3.1]nonan-9-yl)methanol
CID 115013757
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303
(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
CID 178008700
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol?
The IUPAC name of (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol (CID 101366335) is (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol.
What is the SMILES notation for (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol?
The canonical SMILES for (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol is CC1CC(C)[C@H](O)C2(O[C@H](C)C[C@H](C)O2)[C@@H](CO)C1.
What is the InChIKey of (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol?
The InChIKey is QPDZAUHCXBHPHI-XRDQNADYSA-N. The full InChI is InChI=1S/C15H28O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h9-14,16-17H,5-8H2,1-4H3/t9?,10?,11-,12+,13-,14+,15?/m1/s1.
What are the key properties of (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol?
(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol has a molecular weight of 272.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol is sourced from PubChem (CID 101366335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).