2-(cyclohex-3-en-1-ylmethoxy)acetic acid

C9H14O3 — CID 134897270

IUPAC2-(cyclohex-3-en-1-ylmethoxy)acetic acid
SMILESO=C(O)COCC1CC=CCC1
InChIInChI=1S/C9H14O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11)
InChIKeyPOYGPWSQJKKPHI-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.44
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethoxy)acetic acid

2-(cyclohex-3-en-1-ylmethoxy)acetic acid (PubChem CID 134897270) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethoxy)acetic acid
PubChem CID134897270
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(cyclohex-3-en-1-ylmethoxy)acetic acid
SMILESO=C(O)COCC1CC=CCC1
InChIInChI=1S/C9H14O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11)
InChIKeyPOYGPWSQJKKPHI-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethoxy)acetic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethoxy)acetic acid (CID 134897270) is 2-(cyclohex-3-en-1-ylmethoxy)acetic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethoxy)acetic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethoxy)acetic acid is O=C(O)COCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethoxy)acetic acid?
The InChIKey is POYGPWSQJKKPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,10,11).
What are the key properties of 2-(cyclohex-3-en-1-ylmethoxy)acetic acid?
2-(cyclohex-3-en-1-ylmethoxy)acetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethoxy)acetic acid is sourced from PubChem (CID 134897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).