butan-1-ol;3-methoxypentanoic acid

C10H22O4 — CID 174606123

IUPACbutan-1-ol;3-methoxypentanoic acid
SMILESCCC(CC(=O)O)OC.CCCCO
InChIInChI=1S/C6H12O3.C4H10O/c1-3-5(9-2)4-6(7)8;1-2-3-4-5/h5H,3-4H2,1-2H3,(H,7,8);5H,2-4H2,1H3
InChIKeyJUCOLSAHMVUEIF-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.66
Rot. Bonds6

About butan-1-ol;3-methoxypentanoic acid

butan-1-ol;3-methoxypentanoic acid (PubChem CID 174606123) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is butan-1-ol;3-methoxypentanoic acid.

Molecular Properties

Compound Namebutan-1-ol;3-methoxypentanoic acid
PubChem CID174606123
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Namebutan-1-ol;3-methoxypentanoic acid
SMILESCCC(CC(=O)O)OC.CCCCO
InChIInChI=1S/C6H12O3.C4H10O/c1-3-5(9-2)4-6(7)8;1-2-3-4-5/h5H,3-4H2,1-2H3,(H,7,8);5H,2-4H2,1H3
InChIKeyJUCOLSAHMVUEIF-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butan-1-ol;3-methoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxypentanoic acid;pentanoic acid
CID 174739835
4-methoxyhexan-2-one;3-methoxypentanoic acid
CID 157200389
3-(3-hydroxypropoxy)pentanoic acid
CID 114988912
3-methoxynonanoic acid
CID 139673009
4-methoxy-2-oxohexanoic acid
CID 87467117
butan-1-ol;propanedioic acid
CID 174602760
azane;butan-1-ol;2-hydroxyacetic acid
CID 173398964
3-octadecanoyloxypentanoic acid
CID 138205096
3-heptacosanoyloxypentanoic acid
CID 138218123
3-methoxypentanoic acid;styrene
CID 174406567
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210
4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;3-methoxypentanoic acid?
The IUPAC name of butan-1-ol;3-methoxypentanoic acid (CID 174606123) is butan-1-ol;3-methoxypentanoic acid.
What is the SMILES notation for butan-1-ol;3-methoxypentanoic acid?
The canonical SMILES for butan-1-ol;3-methoxypentanoic acid is CCC(CC(=O)O)OC.CCCCO.
What is the InChIKey of butan-1-ol;3-methoxypentanoic acid?
The InChIKey is JUCOLSAHMVUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H10O/c1-3-5(9-2)4-6(7)8;1-2-3-4-5/h5H,3-4H2,1-2H3,(H,7,8);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;3-methoxypentanoic acid?
butan-1-ol;3-methoxypentanoic acid has a molecular weight of 206.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;3-methoxypentanoic acid is sourced from PubChem (CID 174606123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).