2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid

C10H16O3 — CID 43128760

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COCC(=O)O
InChIInChI=1S/C10H16O3/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-3,8-9H,4-7H2,1H3,(H,11,12)
InChIKeyOHHIBPNHYKUPMB-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.69
Rot. Bonds4

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid

2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (PubChem CID 43128760) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
PubChem CID43128760
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
SMILESCC1CC=CCC1COCC(=O)O
InChIInChI=1S/C10H16O3/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-3,8-9H,4-7H2,1H3,(H,11,12)
InChIKeyOHHIBPNHYKUPMB-UHFFFAOYSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.69
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-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid (CID 43128760) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is CC1CC=CCC1COCC(=O)O.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
The InChIKey is OHHIBPNHYKUPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-3,8-9H,4-7H2,1H3,(H,11,12).
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid has a molecular weight of 184.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid is sourced from PubChem (CID 43128760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).