3-methoxypentanoic acid;styrene

C14H20O3 — CID 174406567

IUPAC3-methoxypentanoic acid;styrene
SMILESC=Cc1ccccc1.CCC(CC(=O)O)OC
InChIInChI=1S/C8H8.C6H12O3/c1-2-8-6-4-3-5-7-8;1-3-5(9-2)4-6(7)8/h2-7H,1H2;5H,3-4H2,1-2H3,(H,7,8)
InChIKeyRLCFZEUQQJUTAB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds5

About 3-methoxypentanoic acid;styrene

3-methoxypentanoic acid;styrene (PubChem CID 174406567) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxypentanoic acid;styrene.

Molecular Properties

Compound Name3-methoxypentanoic acid;styrene
PubChem CID174406567
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-methoxypentanoic acid;styrene
SMILESC=Cc1ccccc1.CCC(CC(=O)O)OC
InChIInChI=1S/C8H8.C6H12O3/c1-2-8-6-4-3-5-7-8;1-3-5(9-2)4-6(7)8/h2-7H,1H2;5H,3-4H2,1-2H3,(H,7,8)
InChIKeyRLCFZEUQQJUTAB-UHFFFAOYSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxyhexan-2-one;3-methoxypentanoic acid
CID 157200389
ethyl 2-methylbutanoate;styrene
CID 91021086
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
chloroform;propan-2-one;styrene
CID 70453221
azane;methyl prop-2-enoate;styrene
CID 70448676
3-methoxypentanoic acid;pentanoic acid
CID 174739835
butan-1-ol;3-methoxypentanoic acid
CID 174606123
carbonic acid;styrene;triethyl(methyl)azanium
CID 174590917
6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
CID 159532583
hydroxy(oxo)phosphanium;styrene
CID 158476325
prop-2-enoic acid;styrene
CID 160851252
methyl 2,2-dimethylpropanoate;styrene
CID 144999518

Frequently Asked Questions

What is the IUPAC name of 3-methoxypentanoic acid;styrene?
The IUPAC name of 3-methoxypentanoic acid;styrene (CID 174406567) is 3-methoxypentanoic acid;styrene.
What is the SMILES notation for 3-methoxypentanoic acid;styrene?
The canonical SMILES for 3-methoxypentanoic acid;styrene is C=Cc1ccccc1.CCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxypentanoic acid;styrene?
The InChIKey is RLCFZEUQQJUTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H12O3/c1-2-8-6-4-3-5-7-8;1-3-5(9-2)4-6(7)8/h2-7H,1H2;5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-methoxypentanoic acid;styrene?
3-methoxypentanoic acid;styrene has a molecular weight of 236.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentanoic acid;styrene is sourced from PubChem (CID 174406567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).