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

C15H24O4 — CID 101183099

IUPAC(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol
SMILESCC1=C[C@H](CO)C2(O[C@H](C)C[C@H](C)O2)[C@H](O)C(C)=C1
InChIInChI=1S/C15H24O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h5-6,11-14,16-17H,7-8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1
InChIKeyZRRKYUONLHZEGN-PFNKYVCDSA-N
MW268.35 g/mol
LogP1.77
Rot. Bonds1

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

(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol (PubChem CID 101183099) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol.

Molecular Properties

Compound Name(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol
PubChem CID101183099
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol
SMILESCC1=C[C@H](CO)C2(O[C@H](C)C[C@H](C)O2)[C@H](O)C(C)=C1
InChIInChI=1S/C15H24O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h5-6,11-14,16-17H,7-8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1
InChIKeyZRRKYUONLHZEGN-PFNKYVCDSA-N
XLogP1.77
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R,4S,7S,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodecan-7-ol
CID 101366335
3,5,6-trimethylcyclohexa-2,4-dien-1-ol
CID 152794150
[(1S)-3,5,5-trimethylcyclopent-2-en-1-yl]methanol
CID 167184957
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
CID 178008700
(1'R,3'S,4S,4'R,5'R,6R)-4,6-dimethylspiro[1,3-dioxane-2,2'-6-oxabicyclo[3.2.2]non-8-ene]-3',4'-diol
CID 134878351
CID 91131959
CID 91131959
(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
(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol
CID 131155270
ethane;2-ethyl-5-methyloxolane-2,3-diol
CID 177060039
(3,5-dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 142213617
(2,4,6-trimethylcyclohex-2-en-1-yl)methanol
CID 175543793

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol?
The IUPAC name of (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol (CID 101183099) is (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol.
What is the SMILES notation for (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol?
The canonical SMILES for (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol is CC1=C[C@H](CO)C2(O[C@H](C)C[C@H](C)O2)[C@H](O)C(C)=C1.
What is the InChIKey of (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol?
The InChIKey is ZRRKYUONLHZEGN-PFNKYVCDSA-N. The full InChI is InChI=1S/C15H24O4/c1-9-5-10(2)14(17)15(13(6-9)8-16)18-11(3)7-12(4)19-15/h5-6,11-14,16-17H,7-8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1.
What are the key properties of (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol?
(2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol has a molecular weight of 268.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7R,12R)-12-(hydroxymethyl)-2,4,8,10-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-ol is sourced from PubChem (CID 101183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).