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

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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).