3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

C16H28O2 — CID 79913175

IUPAC3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(C2CCOC3(CCC3)C2)CC1C
InChIInChI=1S/C16H28O2/c1-12-4-8-16(17,10-13(12)2)14-5-9-18-15(11-14)6-3-7-15/h12-14,17H,3-11H2,1-2H3
InChIKeyROOFAHANIQVIIX-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.52
Rot. Bonds1

About 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (PubChem CID 79913175) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
PubChem CID79913175
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(C2CCOC3(CCC3)C2)CC1C
InChIInChI=1S/C16H28O2/c1-12-4-8-16(17,10-13(12)2)14-5-9-18-15(11-14)6-3-7-15/h12-14,17H,3-11H2,1-2H3
InChIKeyROOFAHANIQVIIX-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
4-(methylamino)-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79923576
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
1-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-ol
CID 79899741
3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
4-(5-oxaspiro[3.5]nonan-8-yl)azepan-4-ol
CID 103982956

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The IUPAC name of 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (CID 79913175) is 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The canonical SMILES for 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is CC1CCC(O)(C2CCOC3(CCC3)C2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The InChIKey is ROOFAHANIQVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12-4-8-16(17,10-13(12)2)14-5-9-18-15(11-14)6-3-7-15/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).