(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol

C15H28O2 — CID 11356890

IUPAC(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol
SMILESC[C@H](CO)[C@@H]1CC[C@@]2(C1)[C@H](C)CCC[C@]2(C)O
InChIInChI=1S/C15H28O2/c1-11(10-16)13-6-8-15(9-13)12(2)5-4-7-14(15,3)17/h11-13,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+,15-/m1/s1
InChIKeyPXRYQWDDOCPYSQ-ARILJUKYSA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds2

About (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol

(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol (PubChem CID 11356890) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol.

Molecular Properties

Compound Name(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol
PubChem CID11356890
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol
SMILESC[C@H](CO)[C@@H]1CC[C@@]2(C1)[C@H](C)CCC[C@]2(C)O
InChIInChI=1S/C15H28O2/c1-11(10-16)13-6-8-15(9-13)12(2)5-4-7-14(15,3)17/h11-13,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+,15-/m1/s1
InChIKeyPXRYQWDDOCPYSQ-ARILJUKYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol with MolForge

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Related Compounds

methyl (3R,5R)-10-hydroxy-6,10-dimethylspiro[4.5]decane-3-carboxylate
CID 102065253
(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
CID 130927419
(4R,4aS,6R,8aS)-6-(1-hydroxypropan-2-yl)-4,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 101265538
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(2S)-2-[(1R,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 59043396
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1,2-dimethylcyclopentyl)methanol
CID 544196
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
2,2-dimethoxy-1,3-dimethylcyclohexan-1-ol
CID 166746994
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol?
The IUPAC name of (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol (CID 11356890) is (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol.
What is the SMILES notation for (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol?
The canonical SMILES for (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol is C[C@H](CO)[C@@H]1CC[C@@]2(C1)[C@H](C)CCC[C@]2(C)O.
What is the InChIKey of (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol?
The InChIKey is PXRYQWDDOCPYSQ-ARILJUKYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(10-16)13-6-8-15(9-13)12(2)5-4-7-14(15,3)17/h11-13,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+,15-/m1/s1.
What are the key properties of (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol?
(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol is sourced from PubChem (CID 11356890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).