1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol

C15H27NO3 — CID 97094816

IUPAC1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol
SMILESC[C@@H]1COC2(CCN(CC3(O)CCCCC3)CC2)O1
InChIInChI=1S/C15H27NO3/c1-13-11-18-15(19-13)7-9-16(10-8-15)12-14(17)5-3-2-4-6-14/h13,17H,2-12H2,1H3/t13-/m1/s1
InChIKeyCFUBNCYXSYOSCN-CYBMUJFWSA-N
MW269.38 g/mol
LogP1.91
Rot. Bonds2

About 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol

1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol (PubChem CID 97094816) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol
PubChem CID97094816
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol
SMILESC[C@@H]1COC2(CCN(CC3(O)CCCCC3)CC2)O1
InChIInChI=1S/C15H27NO3/c1-13-11-18-15(19-13)7-9-16(10-8-15)12-14(17)5-3-2-4-6-14/h13,17H,2-12H2,1H3/t13-/m1/s1
InChIKeyCFUBNCYXSYOSCN-CYBMUJFWSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol (CID 97094816) is 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol is C[C@@H]1COC2(CCN(CC3(O)CCCCC3)CC2)O1.
What is the InChIKey of 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol?
The InChIKey is CFUBNCYXSYOSCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13-11-18-15(19-13)7-9-16(10-8-15)12-14(17)5-3-2-4-6-14/h13,17H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol?
1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 97094816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).