4-ethenoxy-2-methylidenehexanoic acid

C9H14O3 — CID 123323015

IUPAC4-ethenoxy-2-methylidenehexanoic acid
SMILESC=COC(CC)CC(=C)C(=O)O
InChIInChI=1S/C9H14O3/c1-4-8(12-5-2)6-7(3)9(10)11/h5,8H,2-4,6H2,1H3,(H,10,11)
InChIKeyRRWHSGZXEWDMOP-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.96
Rot. Bonds6

About 4-ethenoxy-2-methylidenehexanoic acid

4-ethenoxy-2-methylidenehexanoic acid (PubChem CID 123323015) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-ethenoxy-2-methylidenehexanoic acid.

Molecular Properties

Compound Name4-ethenoxy-2-methylidenehexanoic acid
PubChem CID123323015
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-ethenoxy-2-methylidenehexanoic acid
SMILESC=COC(CC)CC(=C)C(=O)O
InChIInChI=1S/C9H14O3/c1-4-8(12-5-2)6-7(3)9(10)11/h5,8H,2-4,6H2,1H3,(H,10,11)
InChIKeyRRWHSGZXEWDMOP-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxybutyl 2-methylprop-2-enoate
CID 87422864
3-ethenoxypentanal
CID 175294702
5-methoxy-2-methylideneheptanoic acid
CID 23448523
2-ethenoxybutoxysilane
CID 154147288
2-methylidene-4-propoxypentanoic acid
CID 22065599
4,5-dimethyl-2-methylidenehexanoic acid
CID 88826259
4-ethenoxyheptane
CID 59883029
6-methyl-2-methylideneoctanoic acid
CID 54361308
4-methoxy-2-oxohexanoic acid
CID 87467117
2-ethenoxybutanedioic acid
CID 139665249
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
3-methoxypentanoic acid;styrene
CID 174406567

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-2-methylidenehexanoic acid?
The IUPAC name of 4-ethenoxy-2-methylidenehexanoic acid (CID 123323015) is 4-ethenoxy-2-methylidenehexanoic acid.
What is the SMILES notation for 4-ethenoxy-2-methylidenehexanoic acid?
The canonical SMILES for 4-ethenoxy-2-methylidenehexanoic acid is C=COC(CC)CC(=C)C(=O)O.
What is the InChIKey of 4-ethenoxy-2-methylidenehexanoic acid?
The InChIKey is RRWHSGZXEWDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-8(12-5-2)6-7(3)9(10)11/h5,8H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 4-ethenoxy-2-methylidenehexanoic acid?
4-ethenoxy-2-methylidenehexanoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2-methylidenehexanoic acid is sourced from PubChem (CID 123323015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).