2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid

C14H24O4 — CID 79901467

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24O4/c1-3-13(2,12(15)16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyMGWILTIBJLCGBO-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.46
Rot. Bonds3

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid (PubChem CID 79901467) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
PubChem CID79901467
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24O4/c1-3-13(2,12(15)16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyMGWILTIBJLCGBO-UHFFFAOYSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-2-methylpropanoic acid
CID 81230785
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
CID 81026781
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid (CID 79901467) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid is CCC(C)(C(=O)O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid?
The InChIKey is MGWILTIBJLCGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-13(2,12(15)16)11-4-7-18-14(10-11)5-8-17-9-6-14/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid has a molecular weight of 256.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid is sourced from PubChem (CID 79901467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).