2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

C16H28O2 — CID 79913769

IUPAC2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H28O2/c1-2-13-6-3-4-10-16(13,17)14-7-11-18-15(12-14)8-5-9-15/h13-14,17H,2-12H2,1H3
InChIKeyVRAQLMFKCWJHBK-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.67
Rot. Bonds2

About 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (PubChem CID 79913769) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
PubChem CID79913769
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCCC1CCCCC1(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H28O2/c1-2-13-6-3-4-10-16(13,17)14-7-11-18-15(12-14)8-5-9-15/h13-14,17H,2-12H2,1H3
InChIKeyVRAQLMFKCWJHBK-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79912938
2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol
CID 64748782
2-ethyl-1-(4-methylcyclohexyl)cyclohexan-1-ol
CID 64749951
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
2-ethyl-4-(1-oxaspiro[5.5]undecan-4-yl)oxan-4-ol
CID 79912831

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (CID 79913769) is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is CCC1CCCCC1(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The InChIKey is VRAQLMFKCWJHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-13-6-3-4-10-16(13,17)14-7-11-18-15(12-14)8-5-9-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).