1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol

C15H28O3 — CID 114200597

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28O3/c1-11(2)8-12(3)14(16)13-4-6-18-15(9-13)5-7-17-10-15/h11-14,16H,4-10H2,1-3H3
InChIKeyJFLQGCNXPZQMCU-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.62
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol (PubChem CID 114200597) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
PubChem CID114200597
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
SMILESCC(C)CC(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H28O3/c1-11(2)8-12(3)14(16)13-4-6-18-15(9-13)5-7-17-10-15/h11-14,16H,4-10H2,1-3H3
InChIKeyJFLQGCNXPZQMCU-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol with MolForge

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutyl]hydrazine
CID 105199138
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol (CID 114200597) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol is CC(C)CC(C)C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol?
The InChIKey is JFLQGCNXPZQMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-11(2)8-12(3)14(16)13-4-6-18-15(9-13)5-7-17-10-15/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 114200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).