4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid

C15H26O3 — CID 102899293

IUPAC4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CC1CCC2(CCCC2)O1)C(=O)O
InChIInChI=1S/C15H26O3/c1-11(2)9-12(14(16)17)10-13-5-8-15(18-13)6-3-4-7-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyZXBHFDLCMXSGCB-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds5

About 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid

4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid (PubChem CID 102899293) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
PubChem CID102899293
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CC1CCC2(CCCC2)O1)C(=O)O
InChIInChI=1S/C15H26O3/c1-11(2)9-12(14(16)17)10-13-5-8-15(18-13)6-3-4-7-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyZXBHFDLCMXSGCB-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896298
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
3-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butanoic acid
CID 102899718
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
CID 102898959
diethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propanedioate
CID 102899337
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
CID 102900242
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
5-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)hexan-3-amine
CID 102899087
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)butanoic acid
CID 102896297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid (CID 102899293) is 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid is CC(C)CC(CC1CCC2(CCCC2)O1)C(=O)O.
What is the InChIKey of 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid?
The InChIKey is ZXBHFDLCMXSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)9-12(14(16)17)10-13-5-8-15(18-13)6-3-4-7-15/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid?
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 102899293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).