2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol

C17H30O3 — CID 79912831

IUPAC2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
SMILESCCC1CC(O)(C2CCOC3(CCCCC3)C2)CCO1
InChIInChI=1S/C17H30O3/c1-2-15-13-17(18,9-11-19-15)14-6-10-20-16(12-14)7-4-3-5-8-16/h14-15,18H,2-13H2,1H3
InChIKeyJQFYNBAMQHHBNX-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.44
Rot. Bonds2

About 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol

2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol (PubChem CID 79912831) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
PubChem CID79912831
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
SMILESCCC1CC(O)(C2CCOC3(CCCCC3)C2)CCO1
InChIInChI=1S/C17H30O3/c1-2-15-13-17(18,9-11-19-15)14-6-10-20-16(12-14)7-4-3-5-8-16/h14-15,18H,2-13H2,1H3
InChIKeyJQFYNBAMQHHBNX-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol with MolForge

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
4-(ethylamino)-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79922553
2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912832
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913175
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
4-(6-oxaspiro[4.5]decan-9-yl)-1-propan-2-ylazepan-4-ol
CID 79907158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol?
The IUPAC name of 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol (CID 79912831) is 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol.
What is the SMILES notation for 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol?
The canonical SMILES for 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol is CCC1CC(O)(C2CCOC3(CCCCC3)C2)CCO1.
What is the InChIKey of 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol?
The InChIKey is JQFYNBAMQHHBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-15-13-17(18,9-11-19-15)14-6-10-20-16(12-14)7-4-3-5-8-16/h14-15,18H,2-13H2,1H3.
What are the key properties of 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol?
2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol has a molecular weight of 282.42 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol is sourced from PubChem (CID 79912831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).