4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol

C18H33NO2 — CID 79907158

IUPAC4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C18H33NO2/c1-15(2)19-11-5-9-18(20,10-12-19)16-6-13-21-17(14-16)7-3-4-8-17/h15-16,20H,3-14H2,1-2H3
InChIKeyLYJKVUNOWAAZFW-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.35
Rot. Bonds2

About 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol

4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol (PubChem CID 79907158) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
PubChem CID79907158
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C18H33NO2/c1-15(2)19-11-5-9-18(20,10-12-19)16-6-13-21-17(14-16)7-3-4-8-17/h15-16,20H,3-14H2,1-2H3
InChIKeyLYJKVUNOWAAZFW-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
CID 79900930
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956
2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912832
4-(ethylamino)-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79922553
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol (CID 79907158) is 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(C2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol?
The InChIKey is LYJKVUNOWAAZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-15(2)19-11-5-9-18(20,10-12-19)16-6-13-21-17(14-16)7-3-4-8-17/h15-16,20H,3-14H2,1-2H3.
What are the key properties of 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol?
4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol has a molecular weight of 295.47 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 79907158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).