2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol

C15H28O3 — CID 10923156

IUPAC2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]12OCC[C@H](CCO)O2
InChIInChI=1S/C15H28O3/c1-11(2)14-5-4-12(3)10-15(14)17-9-7-13(18-15)6-8-16/h11-14,16H,4-10H2,1-3H3/t12-,13+,14+,15-/m1/s1
InChIKeyJISOSGOHOVOONH-CBBWQLFWSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds3

About 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol

2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol (PubChem CID 10923156) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
PubChem CID10923156
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]12OCC[C@H](CCO)O2
InChIInChI=1S/C15H28O3/c1-11(2)14-5-4-12(3)10-15(14)17-9-7-13(18-15)6-8-16/h11-14,16H,4-10H2,1-3H3/t12-,13+,14+,15-/m1/s1
InChIKeyJISOSGOHOVOONH-CBBWQLFWSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(3S)-1-[2-[(4R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethoxy]hex-5-en-3-yl]oxysilane
CID 139249758
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
CID 89335054
CID 89335054
2,9-dimethyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
CID 68641707
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2-[(4S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3-dioxolan-4-yl]ethanol
CID 86318673
1-hydroxy-N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491842
N-ethyl-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163406245
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
(6R,8R,11S)-3-but-3-enyl-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 14641476
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol?
The IUPAC name of 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol (CID 10923156) is 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol is CC(C)[C@@H]1CC[C@@H](C)C[C@]12OCC[C@H](CCO)O2.
What is the InChIKey of 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol?
The InChIKey is JISOSGOHOVOONH-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H28O3/c1-11(2)14-5-4-12(3)10-15(14)17-9-7-13(18-15)6-8-16/h11-14,16H,4-10H2,1-3H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol?
2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol has a molecular weight of 256.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]ethanol is sourced from PubChem (CID 10923156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).