2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol

C17H30O3 — CID 169171951

IUPAC2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol
SMILESCC1(C)CCC2(CCC(OC3CCCCC3O)O2)CC1
InChIInChI=1S/C17H30O3/c1-16(2)9-11-17(12-10-16)8-7-15(20-17)19-14-6-4-3-5-13(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyCTVZMYGKIKYVMT-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.78
Rot. Bonds2

About 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol

2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol (PubChem CID 169171951) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol
PubChem CID169171951
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol
SMILESCC1(C)CCC2(CCC(OC3CCCCC3O)O2)CC1
InChIInChI=1S/C17H30O3/c1-16(2)9-11-17(12-10-16)8-7-15(20-17)19-14-6-4-3-5-13(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyCTVZMYGKIKYVMT-UHFFFAOYSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol with MolForge

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Related Compounds

2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
CID 169171978
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxycyclohexan-1-ol
CID 114266660
cis-(1S,2R)-2-cyclohexyloxycyclohexan-1-ol
CID 92950752
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
trans-(1R,2R)-2-cyclohexyloxycyclopentan-1-ol
CID 131704149
trans-(1R,2R)-2-cyclobutyloxycyclopentan-1-ol
CID 131703611
2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
(2R,3R,4S,5S,6R)-2-[(1S,2S)-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11380413
(2-hydroxycycloheptyl) formate
CID 130142340
1-(2-hydroxycycloheptyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428358

Frequently Asked Questions

What is the IUPAC name of 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol?
The IUPAC name of 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol (CID 169171951) is 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol?
The canonical SMILES for 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol is CC1(C)CCC2(CCC(OC3CCCCC3O)O2)CC1.
What is the InChIKey of 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol?
The InChIKey is CTVZMYGKIKYVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-16(2)9-11-17(12-10-16)8-7-15(20-17)19-14-6-4-3-5-13(14)18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol?
2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol is sourced from PubChem (CID 169171951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).