2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

C16H28O2 — CID 79913866

IUPAC2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCC3)C2)C1C
InChIInChI=1S/C16H28O2/c1-12-5-3-9-16(17,13(12)2)14-6-10-18-15(11-14)7-4-8-15/h12-14,17H,3-11H2,1-2H3
InChIKeyYBPVENKIUIYFNT-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.52
Rot. Bonds1

About 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol

2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (PubChem CID 79913866) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
PubChem CID79913866
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
SMILESCC1CCCC(O)(C2CCOC3(CCC3)C2)C1C
InChIInChI=1S/C16H28O2/c1-12-5-3-9-16(17,13(12)2)14-6-10-18-15(11-14)7-4-8-15/h12-14,17H,3-11H2,1-2H3
InChIKeyYBPVENKIUIYFNT-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

Analyze 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol with MolForge

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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
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
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
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
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
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol (CID 79913866) is 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is CC1CCCC(O)(C2CCOC3(CCC3)C2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
The InChIKey is YBPVENKIUIYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12-5-3-9-16(17,13(12)2)14-6-10-18-15(11-14)7-4-8-15/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol?
2,3-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 2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).