1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one

C14H24O4 — CID 103453831

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24O4/c1-2-3-12(15)13(16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12,15H,2-10H2,1H3
InChIKeyJSDKPPOCVNNWBG-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.69
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one (PubChem CID 103453831) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one
PubChem CID103453831
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24O4/c1-2-3-12(15)13(16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12,15H,2-10H2,1H3
InChIKeyJSDKPPOCVNNWBG-UHFFFAOYSA-N
XLogP1.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-one
CID 116597911
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
2-hydroxy-1-(oxan-3-yl)pentan-1-one
CID 107136058
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-1-one
CID 114247062
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
2-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 116584069
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one (CID 103453831) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one is CCCC(O)C(=O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one?
The InChIKey is JSDKPPOCVNNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-12(15)13(16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12,15H,2-10H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one has a molecular weight of 256.34 g/mol, XLogP of 1.69, 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-hydroxypentan-1-one is sourced from PubChem (CID 103453831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).