2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol

C11H20O3 — CID 11275673

IUPAC2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
SMILESC[C@@H]1CC[C@]2(CCC[C@@H](CCO)O2)O1
InChIInChI=1S/C11H20O3/c1-9-4-7-11(13-9)6-2-3-10(14-11)5-8-12/h9-10,12H,2-8H2,1H3/t9-,10+,11-/m1/s1
InChIKeyHPRRPWCWNLRQMU-OUAUKWLOSA-N
MW200.28 g/mol
LogP1.83
Rot. Bonds2

About 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol

2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol (PubChem CID 11275673) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
PubChem CID11275673
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol
SMILESC[C@@H]1CC[C@]2(CCC[C@@H](CCO)O2)O1
InChIInChI=1S/C11H20O3/c1-9-4-7-11(13-9)6-2-3-10(14-11)5-8-12/h9-10,12H,2-8H2,1H3/t9-,10+,11-/m1/s1
InChIKeyHPRRPWCWNLRQMU-OUAUKWLOSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043
(2R,4S,5R,6R,8R)-2-(2-hydroxyethyl)-8-methyl-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 16746176
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
(E,2S,5S)-7-[(2R,6S,8S)-2-(3-hydroxypropyl)-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3,5-dimethylhept-3-en-2-ol
CID 59456480
4,6-dimethoxy-1-[8-[(2S,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]octyl]-3H-indol-2-one
CID 90665363
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol?
The IUPAC name of 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol (CID 11275673) is 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol.
What is the SMILES notation for 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol?
The canonical SMILES for 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol is C[C@@H]1CC[C@]2(CCC[C@@H](CCO)O2)O1.
What is the InChIKey of 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol?
The InChIKey is HPRRPWCWNLRQMU-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H20O3/c1-9-4-7-11(13-9)6-2-3-10(14-11)5-8-12/h9-10,12H,2-8H2,1H3/t9-,10+,11-/m1/s1.
What are the key properties of 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol?
2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol has a molecular weight of 200.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R,7S)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]ethanol is sourced from PubChem (CID 11275673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).