(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid

C10H14O2 — CID 13405193

IUPAC(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid
SMILESCC1=C/C(=C\C(=O)O)CC(C)C1
InChIInChI=1S/C10H14O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b9-6+
InChIKeyDJHSNIUDCQKWIS-RMKNXTFCSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds1

About (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid

(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid (PubChem CID 13405193) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid
PubChem CID13405193
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid
SMILESCC1=C/C(=C\C(=O)O)CC(C)C1
InChIInChI=1S/C10H14O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b9-6+
InChIKeyDJHSNIUDCQKWIS-RMKNXTFCSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid (CID 13405193) is (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid is CC1=C/C(=C\C(=O)O)CC(C)C1.
What is the InChIKey of (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid?
The InChIKey is DJHSNIUDCQKWIS-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b9-6+.
What are the key properties of (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid?
(2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,5-dimethylcyclohex-2-en-1-ylidene)acetic acid is sourced from PubChem (CID 13405193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).