1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol

C15H28O4 — CID 105113903

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O4/c1-12(11-17-2)9-14(16)13-3-6-19-15(10-13)4-7-18-8-5-15/h12-14,16H,3-11H2,1-2H3
InChIKeyXMRVOWJBAUTQJS-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.00
Rot. Bonds5

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol (PubChem CID 105113903) 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)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
PubChem CID105113903
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28O4/c1-12(11-17-2)9-14(16)13-3-6-19-15(10-13)4-7-18-8-5-15/h12-14,16H,3-11H2,1-2H3
InChIKeyXMRVOWJBAUTQJS-UHFFFAOYSA-N
XLogP2.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylpentan-1-ol
CID 115820832
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,4,4-trimethylpentan-1-ol
CID 115820972
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 105102620
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol (CID 105113903) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol is COCC(C)CC(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is XMRVOWJBAUTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-12(11-17-2)9-14(16)13-3-6-19-15(10-13)4-7-18-8-5-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 272.38 g/mol, XLogP of 2.00, 5 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)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 105113903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).