2-(4-methylidenecyclohexyl)acetic acid

C9H14O2 — CID 91169202

IUPAC2-(4-methylidenecyclohexyl)acetic acid
SMILESC=C1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h8H,1-6H2,(H,10,11)
InChIKeyXLNMRLVIUNXFEK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds2

About 2-(4-methylidenecyclohexyl)acetic acid

2-(4-methylidenecyclohexyl)acetic acid (PubChem CID 91169202) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(4-methylidenecyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-methylidenecyclohexyl)acetic acid
PubChem CID91169202
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(4-methylidenecyclohexyl)acetic acid
SMILESC=C1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h8H,1-6H2,(H,10,11)
InChIKeyXLNMRLVIUNXFEK-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-methylidenecyclohexyl)acetic acid?
The IUPAC name of 2-(4-methylidenecyclohexyl)acetic acid (CID 91169202) is 2-(4-methylidenecyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-methylidenecyclohexyl)acetic acid?
The canonical SMILES for 2-(4-methylidenecyclohexyl)acetic acid is C=C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylidenecyclohexyl)acetic acid?
The InChIKey is XLNMRLVIUNXFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-2-4-8(5-3-7)6-9(10)11/h8H,1-6H2,(H,10,11).
What are the key properties of 2-(4-methylidenecyclohexyl)acetic acid?
2-(4-methylidenecyclohexyl)acetic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenecyclohexyl)acetic acid is sourced from PubChem (CID 91169202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).