1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol

C16H28O3 — CID 79901774

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H28O3/c1-13-2-5-16(17,6-3-13)14-4-9-19-15(12-14)7-10-18-11-8-15/h13-14,17H,2-12H2,1H3
InChIKeyQDIZTWQAAUFMQY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.90
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol (PubChem CID 79901774) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
PubChem CID79901774
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H28O3/c1-13-2-5-16(17,6-3-13)14-4-9-19-15(12-14)7-10-18-11-8-15/h13-14,17H,2-12H2,1H3
InChIKeyQDIZTWQAAUFMQY-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
4-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethylpiperidin-4-ol
CID 79900930
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
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
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
CID 79912664
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol (CID 79901774) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)(C2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol?
The InChIKey is QDIZTWQAAUFMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-13-2-5-16(17,6-3-13)14-4-9-19-15(12-14)7-10-18-11-8-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79901774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).