1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol

C15H28O4 — CID 116713568

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O4/c1-4-18-14(2,3)13(16)12-5-8-19-15(11-12)6-9-17-10-7-15/h12-13,16H,4-11H2,1-3H3
InChIKeyLEFJJAAIPBAONV-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.14
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol (PubChem CID 116713568) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
PubChem CID116713568
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O4/c1-4-18-14(2,3)13(16)12-5-8-19-15(11-12)6-9-17-10-7-15/h12-13,16H,4-11H2,1-3H3
InChIKeyLEFJJAAIPBAONV-UHFFFAOYSA-N
XLogP2.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
CID 116752624
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726779
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
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
CID 79911538
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
[2-ethoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105274222
[2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propyl]hydrazine
CID 105274254
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol (CID 116713568) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol is CCOC(C)(C)C(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol?
The InChIKey is LEFJJAAIPBAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-18-14(2,3)13(16)12-5-8-19-15(11-12)6-9-17-10-7-15/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol has a molecular weight of 272.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 116713568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).